PMC:7532482 / 28450-36541 JSONTXT

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do_id","subj":"T213","obj":"http://purl.obolibrary.org/obo/MONDO_0008380"},{"id":"A214","pred":"mondo_id","subj":"T214","obj":"http://purl.obolibrary.org/obo/MONDO_0008380"},{"id":"A215","pred":"mondo_id","subj":"T215","obj":"http://purl.obolibrary.org/obo/MONDO_0008380"},{"id":"A216","pred":"mondo_id","subj":"T216","obj":"http://purl.obolibrary.org/obo/MONDO_0008380"},{"id":"A217","pred":"mondo_id","subj":"T217","obj":"http://purl.obolibrary.org/obo/MONDO_0008380"},{"id":"A218","pred":"mondo_id","subj":"T218","obj":"http://purl.obolibrary.org/obo/MONDO_0008380"},{"id":"A219","pred":"mondo_id","subj":"T219","obj":"http://purl.obolibrary.org/obo/MONDO_0008380"},{"id":"A220","pred":"mondo_id","subj":"T220","obj":"http://purl.obolibrary.org/obo/MONDO_0008380"},{"id":"A221","pred":"mondo_id","subj":"T221","obj":"http://purl.obolibrary.org/obo/MONDO_0008380"},{"id":"A222","pred":"mondo_id","subj":"T222","obj":"http://purl.obolibrary.org/obo/MONDO_0008380"},{"id":"A223","pred":"mondo_id","subj":"T223","obj":"http://purl.obolibrary.org/obo/MONDO_0008380"}],"text":"Mol ID Molecule Name OB (%) Caco-2 BBB DL Source\nMOL000173 wogonin 30.68 0.79 0.04 0.23 FF\nMOL000211 Mairin 55.38 0.73 0.22 0.78 FF; RB\nMOL000239 Jaranol 50.83 0.61 -0.22 0.29 RB\nMOL000358 beta-sitosterol 36.91 1.32 0.99 0.75 PR; PCRR; IR; FF; VH\nMOL000359 sitosterol 36.91 1.32 0.87 0.75 PR; IR; RB\nMOL000392 formononetin 69.67 0.78 0.02 0.21 RB\nMOL000449 Stigmasterol 43.83 1.44 1 0.76 PR; IR; HP; I; VH\nMOL000497 licochalcone a 40.79 0.82 -0.21 0.29 RB\nMOL000791 bicuculline 69.67 0.72 0.02 0.88 FF\nMOL000953 CLR 37.87 1.43 1.13 0.68 IR\nMOL001484 Inermine 75.18 0.89 0.4 0.54 RB\nMOL001645 Linoleyl acetate 42.1 1.36 1.08 0.2 HP\nMOL001663 (4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 32.03 0.61 0.39 0.76 VH\nMOL001676 Vilmorrianine C 33.96 0.59 0.14 0.22 PR\nMOL001677 asperglaucide 58.02 0.28 -0.22 0.52 PR\nMOL001689 acacetin 34.97 0.67 -0.05 0.24 PR; IR\nMOL001697 Sinoacutine 63.39 0.72 0.36 0.53 PR\nMOL001749 ZINC03860434 43.59 1.04 0.6 0.35 IR\nMOL001755 24-Ethylcholest-4-en-3-one 36.08 1.46 1.22 0.76 IR\nMOL001756 quindoline 33.17 1.5 0.99 0.22 IR\nMOL001769 beta-sitosterol dodecantate 34.57 1.28 0.57 0.57 IR\nMOL001771 poriferast-5-en-3beta-ol 36.91 1.45 1.14 0.75 IR\nMOL001774 Ineketone 37.14 0.39 0.1 0.3 IR\nMOL001779 Sinoacutine 49.11 0.7 0.39 0.46 IR\nMOL001781 Indigo 38.2 0.83 0.02 0.26 IR\nMOL001782 (2Z)-2-(2-oxoindolin-3-ylidene)indolin-3-one 48.4 0.85 -0.06 0.26 IR\nMOL001783 2-(9-((3-methyl-2-oxopent-3-en-1-yl)oxy)-2-oxo-1,2,8,9-tetrahydrofuro[2,3-h]quinolin-8-yl)propan-2-yl acetate 64 0.39 -0.09 0.57 IR\nMOL001792 DFV 32.76 0.51 -0.29 0.18 IR; RB\nMOL001793 (E)-2-[(3-indole)cyanomethylene-]-3-indolinone 54.59 1.06 0.22 0.32 IR\nMOL001800 rosasterol 35.87 1.28 0.89 0.75 IR\nMOL001803 Sinensetin 50.56 1.12 0.04 0.45 IR\nMOL001804 Stigmasta-5,22-diene-3beta,7alpha-diol 43.04 1.35 0.84 0.82 IR\nMOL001806 Stigmasta-5,22-diene-3beta,7beta-diol 42.56 1.37 0.81 0.83 IR\nMOL001810 6-(3-oxoindolin-2-ylidene)indolo[2,1-b]quinazolin-12-one 45.28 1.19 0.48 0.89 IR\nMOL001814 (E)-3-(3,5-dimethoxy-4-hydroxy-benzylidene)-2-indolinone 57.18 0.69 0.16 0.25 IR\nMOL001820 (E)-3-(3,5-dimethoxy-4-hydroxyb-enzylidene)-2-indolinone 65.17 0.28 -0.17 0.25 IR\nMOL001828 3-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one 51.84 0.81 0.03 0.56 IR\nMOL002311 Glycyrol 90.78 0.71 -0.2 0.67 RB\nMOL002565 Medicarpin 49.22 1 0.53 0.34 RB\nMOL002773 beta-carotene 37.18 2.25 1.52 0.58 VH\nMOL003281 20(S)-dammar-24-ene-3β,20-diol-3-acetate 40.23 0.93 0.28 0.82 FF\nMOL003290 (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one 52.3 0.78 0.17 0.48 FF\nMOL003295 (+)-pinoresinol monomethyl ether 53.08 0.69 0 0.57 FF\nMOL003306 ACon1_001697 85.12 0.76 0 0.57 FF\nMOL003308 (+)-pinoresinol monomethyl ether-4-D-beta-glucoside_qt 61.2 0.7 0.12 0.57 FF\nMOL003315 3beta-Acetyl-20,25-epoxydammarane-24alpha-ol 33.07 0.75 0.24 0.79 FF\nMOL003322 FORSYTHINOL 81.25 0.59 -0.08 0.57 FF\nMOL003330 (-)-Phillygenin 95.04 0.75 0.07 0.57 FF\nMOL003344 β-amyrin acetate 42.06 1.36 1.1 0.74 FF\nMOL003347 hyperforin 44.03 0.87 0.4 0.6 FF\nMOL003348 adhyperforin 44.03 0.93 0.58 0.61 FF\nMOL003365 Lactucasterol 40.99 0.88 0.5 0.85 FF\nMOL003370 Onjixanthone I 79.16 0.84 0.04 0.3 FF\nMOL003656 Lupiwighteone 51.64 0.68 -0.23 0.37 RB\nMOL003896 7-Methoxy-2-methyl isoflavone 42.56 1.16 0.56 0.2 RB\nMOL004598 3,5,6,7-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromone 31.97 0.75 0.08 0.59 HP\nMOL004609 Areapillin 48.96 0.6 -0.29 0.41 HP\nMOL004624 Longikaurin A 47.72 0.08 0.09 0.53 HP\nMOL004628 Octalupine 47.82 0.48 0.3 0.28 HP\nMOL004644 Sainfuran 79.91 0.9 0.23 0.23 HP\nMOL004653 (+)-Anomalin 46.06 0.46 0 0.66 HP\nMOL004718 α-spinasterol 42.98 1.28 0.79 0.76 HP\nMOL004805 (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one 31.79 1 0.25 0.72 RB\nMOL004806 euchrenone 30.29 1.09 0.39 0.57 RB\nMOL004808 glyasperin B 65.22 0.47 -0.09 0.44 RB\nMOL004810 glyasperin F 75.84 0.43 -0.15 0.54 RB\nMOL004811 Glyasperin C 45.56 0.71 0.07 0.4 RB\nMOL004814 Isotrifoliol 31.94 0.53 -0.25 0.42 RB\nMOL004815 (E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one 39.62 0.66 -0.12 0.35 RB\nMOL004820 kanzonols W 50.48 0.63 0.04 0.52 RB\nMOL004828 Glepidotin A 44.72 0.79 0.06 0.35 RB\nMOL004829 Glepidotin B 64.46 0.46 -0.09 0.34 RB\nMOL004833 Phaseolinisoflavan 32.01 1.01 0.46 0.45 RB\nMOL004835 Glypallichalcone 61.6 0.76 0.23 0.19 RB\nMOL004838 8-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol 58.44 1 0.34 0.38 RB\nMOL004848 licochalcone G 49.25 0.64 -0.04 0.32 RB\nMOL004849 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin 59.62 0.4 -0.23 0.43 RB\nMOL004855 Licoricone 63.58 0.53 -0.14 0.47 RB\nMOL004856 RBnin A 51.08 0.8 0.13 0.4 RB\nMOL004857 RBnin B 48.79 0.58 -0.1 0.45 RB\nMOL004863 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone 66.37 0.52 -0.13 0.41 RB\nMOL004866 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone 44.15 0.48 -0.28 0.41 RB\nMOL004879 Glycyrin 52.61 0.59 -0.13 0.47 RB\nMOL004882 Licocoumarone 33.21 0.84 0.06 0.36 RB\nMOL004883 Licoisoflavone 41.61 0.37 -0.27 0.42 RB\nMOL004884 Licoisoflavone B 38.93 0.46 -0.18 0.55 RB\nMOL004885 licoisoflavanone 52.47 0.39 -0.22 0.54 RB\nMOL004891 shinpterocarpin 80.3 1.1 0.68 0.73 RB\nMOL004907 Glyzaglabrin 61.07 0.34 -0.2 0.35 RB\nMOL004908 Glabridin 53.25 0.97 0.36 0.47 RB\nMOL004910 Glabranin 52.9 0.97 0.31 0.31 RB\nMOL004911 Glabrene 46.27 0.99 0.04 0.44 RB\nMOL004912 Glabrone 52.51 0.59 -0.11 0.5 RB\nMOL004913 1,3-dihydroxy-9-methoxy-6-benzofurano[3,2-c]chromenone 48.14 0.48 -0.19 0.43 RB\nMOL004915 Eurycarpin A 43.28 0.43 -0.06 0.37 RB\nMOL004941 (2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one 71.12 0.41 -0.25 0.18 RB\nMOL004945 (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one 36.57 0.72 -0.04 0.32 RB\nMOL004948 Isoglycyrol 44.7 0.91 0.05 0.84 RB\nMOL004957 HMO 38.37 0.79 0.25 0.21 RB\nMOL004959 1-Methoxyphaseollidin 69.98 1.01 0.48 0.64 RB\nMOL004966 3'-Hydroxy-4'-O-Methylglabridin 43.71 1 0.73 0.57 RB\nMOL004974 3'-Methoxyglabridin 46.16 0.94 0.47 0.57 RB\nMOL004978 2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxyphenol 36.21 1.12 0.61 0.52 RB\nMOL004980 Inflacoumarin A 39.71 0.73 -0.24 0.33 RB\nMOL004985 icos-5-enoic acid 30.7 1.22 1.09 0.2 RB\nMOL004988 Kanzonol F 32.47 1.18 0.56 0.89 RB\nMOL004989 6-prenylated eriodictyol 39.22 0.4 -0.29 0.41 RB\nMOL004991 7-Acetoxy-2-methylisoflavone 38.92 0.74 0.16 0.26 RB\nMOL004996 gadelaidic acid 30.7 1.2 0.94 0.2 RB\nMOL005000 RBnin G 60.44 0.78 0.23 0.39 RB\nMOL005001 RBnin H 50.1 0.6 -0.14 0.78 RB\nMOL005003 Licoagrocarpin 58.81 1.23 0.61 0.58 RB\nMOL005007 Glyasperins M 72.67 0.49 -0.04 0.59 RB\nMOL005012 Licoagroisoflavone 57.28 0.71 0.09 0.49 RB\nMOL005016 Odoratin 49.95 0.42 -0.24 0.3 RB\nMOL005017 Phaseol 78.77 0.76 -0.06 0.58 RB\nMOL005018 Xambioona 54.85 1.09 0.52 0.87 RB\nMOL005020 dehydroglyasperins C 53.82 0.68 -0.12 0.37 RB\nMOL005229 Artemetin 49.55 0.81 -0.09 0.48 VH\nMOL005503 Cornudentanone 39.66 0.47 0.09 0.33 VH\nMOL008752 Dihydroverticillatine 42.69 0.56 0.11 0.84 VH\nMOL013281 6,8-Dihydroxy-7-methoxyxanthone 35.83 0.68 0.1 0.21 PCRR\nMOL013287 Physovenine 106.21 0.51 0.2 0.19 PCRR\nMOL013288 Picralinal 58.01 0.23 -0.21 0.75 PCRR"}

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ID Molecule Name OB (%) Caco-2 BBB DL Source\nMOL000173 wogonin 30.68 0.79 0.04 0.23 FF\nMOL000211 Mairin 55.38 0.73 0.22 0.78 FF; RB\nMOL000239 Jaranol 50.83 0.61 -0.22 0.29 RB\nMOL000358 beta-sitosterol 36.91 1.32 0.99 0.75 PR; PCRR; IR; FF; VH\nMOL000359 sitosterol 36.91 1.32 0.87 0.75 PR; IR; RB\nMOL000392 formononetin 69.67 0.78 0.02 0.21 RB\nMOL000449 Stigmasterol 43.83 1.44 1 0.76 PR; IR; HP; I; VH\nMOL000497 licochalcone a 40.79 0.82 -0.21 0.29 RB\nMOL000791 bicuculline 69.67 0.72 0.02 0.88 FF\nMOL000953 CLR 37.87 1.43 1.13 0.68 IR\nMOL001484 Inermine 75.18 0.89 0.4 0.54 RB\nMOL001645 Linoleyl acetate 42.1 1.36 1.08 0.2 HP\nMOL001663 (4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 32.03 0.61 0.39 0.76 VH\nMOL001676 Vilmorrianine C 33.96 0.59 0.14 0.22 PR\nMOL001677 asperglaucide 58.02 0.28 -0.22 0.52 PR\nMOL001689 acacetin 34.97 0.67 -0.05 0.24 PR; IR\nMOL001697 Sinoacutine 63.39 0.72 0.36 0.53 PR\nMOL001749 ZINC03860434 43.59 1.04 0.6 0.35 IR\nMOL001755 24-Ethylcholest-4-en-3-one 36.08 1.46 1.22 0.76 IR\nMOL001756 quindoline 33.17 1.5 0.99 0.22 IR\nMOL001769 beta-sitosterol dodecantate 34.57 1.28 0.57 0.57 IR\nMOL001771 poriferast-5-en-3beta-ol 36.91 1.45 1.14 0.75 IR\nMOL001774 Ineketone 37.14 0.39 0.1 0.3 IR\nMOL001779 Sinoacutine 49.11 0.7 0.39 0.46 IR\nMOL001781 Indigo 38.2 0.83 0.02 0.26 IR\nMOL001782 (2Z)-2-(2-oxoindolin-3-ylidene)indolin-3-one 48.4 0.85 -0.06 0.26 IR\nMOL001783 2-(9-((3-methyl-2-oxopent-3-en-1-yl)oxy)-2-oxo-1,2,8,9-tetrahydrofuro[2,3-h]quinolin-8-yl)propan-2-yl acetate 64 0.39 -0.09 0.57 IR\nMOL001792 DFV 32.76 0.51 -0.29 0.18 IR; RB\nMOL001793 (E)-2-[(3-indole)cyanomethylene-]-3-indolinone 54.59 1.06 0.22 0.32 IR\nMOL001800 rosasterol 35.87 1.28 0.89 0.75 IR\nMOL001803 Sinensetin 50.56 1.12 0.04 0.45 IR\nMOL001804 Stigmasta-5,22-diene-3beta,7alpha-diol 43.04 1.35 0.84 0.82 IR\nMOL001806 Stigmasta-5,22-diene-3beta,7beta-diol 42.56 1.37 0.81 0.83 IR\nMOL001810 6-(3-oxoindolin-2-ylidene)indolo[2,1-b]quinazolin-12-one 45.28 1.19 0.48 0.89 IR\nMOL001814 (E)-3-(3,5-dimethoxy-4-hydroxy-benzylidene)-2-indolinone 57.18 0.69 0.16 0.25 IR\nMOL001820 (E)-3-(3,5-dimethoxy-4-hydroxyb-enzylidene)-2-indolinone 65.17 0.28 -0.17 0.25 IR\nMOL001828 3-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one 51.84 0.81 0.03 0.56 IR\nMOL002311 Glycyrol 90.78 0.71 -0.2 0.67 RB\nMOL002565 Medicarpin 49.22 1 0.53 0.34 RB\nMOL002773 beta-carotene 37.18 2.25 1.52 0.58 VH\nMOL003281 20(S)-dammar-24-ene-3β,20-diol-3-acetate 40.23 0.93 0.28 0.82 FF\nMOL003290 (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one 52.3 0.78 0.17 0.48 FF\nMOL003295 (+)-pinoresinol monomethyl ether 53.08 0.69 0 0.57 FF\nMOL003306 ACon1_001697 85.12 0.76 0 0.57 FF\nMOL003308 (+)-pinoresinol monomethyl ether-4-D-beta-glucoside_qt 61.2 0.7 0.12 0.57 FF\nMOL003315 3beta-Acetyl-20,25-epoxydammarane-24alpha-ol 33.07 0.75 0.24 0.79 FF\nMOL003322 FORSYTHINOL 81.25 0.59 -0.08 0.57 FF\nMOL003330 (-)-Phillygenin 95.04 0.75 0.07 0.57 FF\nMOL003344 β-amyrin acetate 42.06 1.36 1.1 0.74 FF\nMOL003347 hyperforin 44.03 0.87 0.4 0.6 FF\nMOL003348 adhyperforin 44.03 0.93 0.58 0.61 FF\nMOL003365 Lactucasterol 40.99 0.88 0.5 0.85 FF\nMOL003370 Onjixanthone I 79.16 0.84 0.04 0.3 FF\nMOL003656 Lupiwighteone 51.64 0.68 -0.23 0.37 RB\nMOL003896 7-Methoxy-2-methyl isoflavone 42.56 1.16 0.56 0.2 RB\nMOL004598 3,5,6,7-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromone 31.97 0.75 0.08 0.59 HP\nMOL004609 Areapillin 48.96 0.6 -0.29 0.41 HP\nMOL004624 Longikaurin A 47.72 0.08 0.09 0.53 HP\nMOL004628 Octalupine 47.82 0.48 0.3 0.28 HP\nMOL004644 Sainfuran 79.91 0.9 0.23 0.23 HP\nMOL004653 (+)-Anomalin 46.06 0.46 0 0.66 HP\nMOL004718 α-spinasterol 42.98 1.28 0.79 0.76 HP\nMOL004805 (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one 31.79 1 0.25 0.72 RB\nMOL004806 euchrenone 30.29 1.09 0.39 0.57 RB\nMOL004808 glyasperin B 65.22 0.47 -0.09 0.44 RB\nMOL004810 glyasperin F 75.84 0.43 -0.15 0.54 RB\nMOL004811 Glyasperin C 45.56 0.71 0.07 0.4 RB\nMOL004814 Isotrifoliol 31.94 0.53 -0.25 0.42 RB\nMOL004815 (E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one 39.62 0.66 -0.12 0.35 RB\nMOL004820 kanzonols W 50.48 0.63 0.04 0.52 RB\nMOL004828 Glepidotin A 44.72 0.79 0.06 0.35 RB\nMOL004829 Glepidotin B 64.46 0.46 -0.09 0.34 RB\nMOL004833 Phaseolinisoflavan 32.01 1.01 0.46 0.45 RB\nMOL004835 Glypallichalcone 61.6 0.76 0.23 0.19 RB\nMOL004838 8-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol 58.44 1 0.34 0.38 RB\nMOL004848 licochalcone G 49.25 0.64 -0.04 0.32 RB\nMOL004849 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin 59.62 0.4 -0.23 0.43 RB\nMOL004855 Licoricone 63.58 0.53 -0.14 0.47 RB\nMOL004856 RBnin A 51.08 0.8 0.13 0.4 RB\nMOL004857 RBnin B 48.79 0.58 -0.1 0.45 RB\nMOL004863 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone 66.37 0.52 -0.13 0.41 RB\nMOL004866 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone 44.15 0.48 -0.28 0.41 RB\nMOL004879 Glycyrin 52.61 0.59 -0.13 0.47 RB\nMOL004882 Licocoumarone 33.21 0.84 0.06 0.36 RB\nMOL004883 Licoisoflavone 41.61 0.37 -0.27 0.42 RB\nMOL004884 Licoisoflavone B 38.93 0.46 -0.18 0.55 RB\nMOL004885 licoisoflavanone 52.47 0.39 -0.22 0.54 RB\nMOL004891 shinpterocarpin 80.3 1.1 0.68 0.73 RB\nMOL004907 Glyzaglabrin 61.07 0.34 -0.2 0.35 RB\nMOL004908 Glabridin 53.25 0.97 0.36 0.47 RB\nMOL004910 Glabranin 52.9 0.97 0.31 0.31 RB\nMOL004911 Glabrene 46.27 0.99 0.04 0.44 RB\nMOL004912 Glabrone 52.51 0.59 -0.11 0.5 RB\nMOL004913 1,3-dihydroxy-9-methoxy-6-benzofurano[3,2-c]chromenone 48.14 0.48 -0.19 0.43 RB\nMOL004915 Eurycarpin A 43.28 0.43 -0.06 0.37 RB\nMOL004941 (2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one 71.12 0.41 -0.25 0.18 RB\nMOL004945 (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one 36.57 0.72 -0.04 0.32 RB\nMOL004948 Isoglycyrol 44.7 0.91 0.05 0.84 RB\nMOL004957 HMO 38.37 0.79 0.25 0.21 RB\nMOL004959 1-Methoxyphaseollidin 69.98 1.01 0.48 0.64 RB\nMOL004966 3'-Hydroxy-4'-O-Methylglabridin 43.71 1 0.73 0.57 RB\nMOL004974 3'-Methoxyglabridin 46.16 0.94 0.47 0.57 RB\nMOL004978 2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxyphenol 36.21 1.12 0.61 0.52 RB\nMOL004980 Inflacoumarin A 39.71 0.73 -0.24 0.33 RB\nMOL004985 icos-5-enoic acid 30.7 1.22 1.09 0.2 RB\nMOL004988 Kanzonol F 32.47 1.18 0.56 0.89 RB\nMOL004989 6-prenylated eriodictyol 39.22 0.4 -0.29 0.41 RB\nMOL004991 7-Acetoxy-2-methylisoflavone 38.92 0.74 0.16 0.26 RB\nMOL004996 gadelaidic acid 30.7 1.2 0.94 0.2 RB\nMOL005000 RBnin G 60.44 0.78 0.23 0.39 RB\nMOL005001 RBnin H 50.1 0.6 -0.14 0.78 RB\nMOL005003 Licoagrocarpin 58.81 1.23 0.61 0.58 RB\nMOL005007 Glyasperins M 72.67 0.49 -0.04 0.59 RB\nMOL005012 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ID Molecule Name OB (%) Caco-2 BBB DL Source\nMOL000173 wogonin 30.68 0.79 0.04 0.23 FF\nMOL000211 Mairin 55.38 0.73 0.22 0.78 FF; RB\nMOL000239 Jaranol 50.83 0.61 -0.22 0.29 RB\nMOL000358 beta-sitosterol 36.91 1.32 0.99 0.75 PR; PCRR; IR; FF; VH\nMOL000359 sitosterol 36.91 1.32 0.87 0.75 PR; IR; RB\nMOL000392 formononetin 69.67 0.78 0.02 0.21 RB\nMOL000449 Stigmasterol 43.83 1.44 1 0.76 PR; IR; HP; I; VH\nMOL000497 licochalcone a 40.79 0.82 -0.21 0.29 RB\nMOL000791 bicuculline 69.67 0.72 0.02 0.88 FF\nMOL000953 CLR 37.87 1.43 1.13 0.68 IR\nMOL001484 Inermine 75.18 0.89 0.4 0.54 RB\nMOL001645 Linoleyl acetate 42.1 1.36 1.08 0.2 HP\nMOL001663 (4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 32.03 0.61 0.39 0.76 VH\nMOL001676 Vilmorrianine C 33.96 0.59 0.14 0.22 PR\nMOL001677 asperglaucide 58.02 0.28 -0.22 0.52 PR\nMOL001689 acacetin 34.97 0.67 -0.05 0.24 PR; IR\nMOL001697 Sinoacutine 63.39 0.72 0.36 0.53 PR\nMOL001749 ZINC03860434 43.59 1.04 0.6 0.35 IR\nMOL001755 24-Ethylcholest-4-en-3-one 36.08 1.46 1.22 0.76 IR\nMOL001756 quindoline 33.17 1.5 0.99 0.22 IR\nMOL001769 beta-sitosterol dodecantate 34.57 1.28 0.57 0.57 IR\nMOL001771 poriferast-5-en-3beta-ol 36.91 1.45 1.14 0.75 IR\nMOL001774 Ineketone 37.14 0.39 0.1 0.3 IR\nMOL001779 Sinoacutine 49.11 0.7 0.39 0.46 IR\nMOL001781 Indigo 38.2 0.83 0.02 0.26 IR\nMOL001782 (2Z)-2-(2-oxoindolin-3-ylidene)indolin-3-one 48.4 0.85 -0.06 0.26 IR\nMOL001783 2-(9-((3-methyl-2-oxopent-3-en-1-yl)oxy)-2-oxo-1,2,8,9-tetrahydrofuro[2,3-h]quinolin-8-yl)propan-2-yl acetate 64 0.39 -0.09 0.57 IR\nMOL001792 DFV 32.76 0.51 -0.29 0.18 IR; RB\nMOL001793 (E)-2-[(3-indole)cyanomethylene-]-3-indolinone 54.59 1.06 0.22 0.32 IR\nMOL001800 rosasterol 35.87 1.28 0.89 0.75 IR\nMOL001803 Sinensetin 50.56 1.12 0.04 0.45 IR\nMOL001804 Stigmasta-5,22-diene-3beta,7alpha-diol 43.04 1.35 0.84 0.82 IR\nMOL001806 Stigmasta-5,22-diene-3beta,7beta-diol 42.56 1.37 0.81 0.83 IR\nMOL001810 6-(3-oxoindolin-2-ylidene)indolo[2,1-b]quinazolin-12-one 45.28 1.19 0.48 0.89 IR\nMOL001814 (E)-3-(3,5-dimethoxy-4-hydroxy-benzylidene)-2-indolinone 57.18 0.69 0.16 0.25 IR\nMOL001820 (E)-3-(3,5-dimethoxy-4-hydroxyb-enzylidene)-2-indolinone 65.17 0.28 -0.17 0.25 IR\nMOL001828 3-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one 51.84 0.81 0.03 0.56 IR\nMOL002311 Glycyrol 90.78 0.71 -0.2 0.67 RB\nMOL002565 Medicarpin 49.22 1 0.53 0.34 RB\nMOL002773 beta-carotene 37.18 2.25 1.52 0.58 VH\nMOL003281 20(S)-dammar-24-ene-3β,20-diol-3-acetate 40.23 0.93 0.28 0.82 FF\nMOL003290 (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one 52.3 0.78 0.17 0.48 FF\nMOL003295 (+)-pinoresinol monomethyl ether 53.08 0.69 0 0.57 FF\nMOL003306 ACon1_001697 85.12 0.76 0 0.57 FF\nMOL003308 (+)-pinoresinol monomethyl ether-4-D-beta-glucoside_qt 61.2 0.7 0.12 0.57 FF\nMOL003315 3beta-Acetyl-20,25-epoxydammarane-24alpha-ol 33.07 0.75 0.24 0.79 FF\nMOL003322 FORSYTHINOL 81.25 0.59 -0.08 0.57 FF\nMOL003330 (-)-Phillygenin 95.04 0.75 0.07 0.57 FF\nMOL003344 β-amyrin acetate 42.06 1.36 1.1 0.74 FF\nMOL003347 hyperforin 44.03 0.87 0.4 0.6 FF\nMOL003348 adhyperforin 44.03 0.93 0.58 0.61 FF\nMOL003365 Lactucasterol 40.99 0.88 0.5 0.85 FF\nMOL003370 Onjixanthone I 79.16 0.84 0.04 0.3 FF\nMOL003656 Lupiwighteone 51.64 0.68 -0.23 0.37 RB\nMOL003896 7-Methoxy-2-methyl isoflavone 42.56 1.16 0.56 0.2 RB\nMOL004598 3,5,6,7-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromone 31.97 0.75 0.08 0.59 HP\nMOL004609 Areapillin 48.96 0.6 -0.29 0.41 HP\nMOL004624 Longikaurin A 47.72 0.08 0.09 0.53 HP\nMOL004628 Octalupine 47.82 0.48 0.3 0.28 HP\nMOL004644 Sainfuran 79.91 0.9 0.23 0.23 HP\nMOL004653 (+)-Anomalin 46.06 0.46 0 0.66 HP\nMOL004718 α-spinasterol 42.98 1.28 0.79 0.76 HP\nMOL004805 (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one 31.79 1 0.25 0.72 RB\nMOL004806 euchrenone 30.29 1.09 0.39 0.57 RB\nMOL004808 glyasperin B 65.22 0.47 -0.09 0.44 RB\nMOL004810 glyasperin F 75.84 0.43 -0.15 0.54 RB\nMOL004811 Glyasperin C 45.56 0.71 0.07 0.4 RB\nMOL004814 Isotrifoliol 31.94 0.53 -0.25 0.42 RB\nMOL004815 (E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one 39.62 0.66 -0.12 0.35 RB\nMOL004820 kanzonols W 50.48 0.63 0.04 0.52 RB\nMOL004828 Glepidotin A 44.72 0.79 0.06 0.35 RB\nMOL004829 Glepidotin B 64.46 0.46 -0.09 0.34 RB\nMOL004833 Phaseolinisoflavan 32.01 1.01 0.46 0.45 RB\nMOL004835 Glypallichalcone 61.6 0.76 0.23 0.19 RB\nMOL004838 8-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol 58.44 1 0.34 0.38 RB\nMOL004848 licochalcone G 49.25 0.64 -0.04 0.32 RB\nMOL004849 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin 59.62 0.4 -0.23 0.43 RB\nMOL004855 Licoricone 63.58 0.53 -0.14 0.47 RB\nMOL004856 RBnin A 51.08 0.8 0.13 0.4 RB\nMOL004857 RBnin B 48.79 0.58 -0.1 0.45 RB\nMOL004863 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone 66.37 0.52 -0.13 0.41 RB\nMOL004866 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone 44.15 0.48 -0.28 0.41 RB\nMOL004879 Glycyrin 52.61 0.59 -0.13 0.47 RB\nMOL004882 Licocoumarone 33.21 0.84 0.06 0.36 RB\nMOL004883 Licoisoflavone 41.61 0.37 -0.27 0.42 RB\nMOL004884 Licoisoflavone B 38.93 0.46 -0.18 0.55 RB\nMOL004885 licoisoflavanone 52.47 0.39 -0.22 0.54 RB\nMOL004891 shinpterocarpin 80.3 1.1 0.68 0.73 RB\nMOL004907 Glyzaglabrin 61.07 0.34 -0.2 0.35 RB\nMOL004908 Glabridin 53.25 0.97 0.36 0.47 RB\nMOL004910 Glabranin 52.9 0.97 0.31 0.31 RB\nMOL004911 Glabrene 46.27 0.99 0.04 0.44 RB\nMOL004912 Glabrone 52.51 0.59 -0.11 0.5 RB\nMOL004913 1,3-dihydroxy-9-methoxy-6-benzofurano[3,2-c]chromenone 48.14 0.48 -0.19 0.43 RB\nMOL004915 Eurycarpin A 43.28 0.43 -0.06 0.37 RB\nMOL004941 (2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one 71.12 0.41 -0.25 0.18 RB\nMOL004945 (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one 36.57 0.72 -0.04 0.32 RB\nMOL004948 Isoglycyrol 44.7 0.91 0.05 0.84 RB\nMOL004957 HMO 38.37 0.79 0.25 0.21 RB\nMOL004959 1-Methoxyphaseollidin 69.98 1.01 0.48 0.64 RB\nMOL004966 3'-Hydroxy-4'-O-Methylglabridin 43.71 1 0.73 0.57 RB\nMOL004974 3'-Methoxyglabridin 46.16 0.94 0.47 0.57 RB\nMOL004978 2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxyphenol 36.21 1.12 0.61 0.52 RB\nMOL004980 Inflacoumarin A 39.71 0.73 -0.24 0.33 RB\nMOL004985 icos-5-enoic acid 30.7 1.22 1.09 0.2 RB\nMOL004988 Kanzonol F 32.47 1.18 0.56 0.89 RB\nMOL004989 6-prenylated eriodictyol 39.22 0.4 -0.29 0.41 RB\nMOL004991 7-Acetoxy-2-methylisoflavone 38.92 0.74 0.16 0.26 RB\nMOL004996 gadelaidic acid 30.7 1.2 0.94 0.2 RB\nMOL005000 RBnin G 60.44 0.78 0.23 0.39 RB\nMOL005001 RBnin H 50.1 0.6 -0.14 0.78 RB\nMOL005003 Licoagrocarpin 58.81 1.23 0.61 0.58 RB\nMOL005007 Glyasperins M 72.67 0.49 -0.04 0.59 RB\nMOL005012 Licoagroisoflavone 57.28 0.71 0.09 0.49 RB\nMOL005016 Odoratin 49.95 0.42 -0.24 0.3 RB\nMOL005017 Phaseol 78.77 0.76 -0.06 0.58 RB\nMOL005018 Xambioona 54.85 1.09 0.52 0.87 RB\nMOL005020 dehydroglyasperins C 53.82 0.68 -0.12 0.37 RB\nMOL005229 Artemetin 49.55 0.81 -0.09 0.48 VH\nMOL005503 Cornudentanone 39.66 0.47 0.09 0.33 VH\nMOL008752 Dihydroverticillatine 42.69 0.56 0.11 0.84 VH\nMOL013281 6,8-Dihydroxy-7-methoxyxanthone 35.83 0.68 0.1 0.21 PCRR\nMOL013287 Physovenine 106.21 0.51 0.2 0.19 PCRR\nMOL013288 Picralinal 58.01 0.23 -0.21 0.75 PCRR"}

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ID Molecule Name OB (%) Caco-2 BBB DL Source\nMOL000173 wogonin 30.68 0.79 0.04 0.23 FF\nMOL000211 Mairin 55.38 0.73 0.22 0.78 FF; RB\nMOL000239 Jaranol 50.83 0.61 -0.22 0.29 RB\nMOL000358 beta-sitosterol 36.91 1.32 0.99 0.75 PR; PCRR; IR; FF; VH\nMOL000359 sitosterol 36.91 1.32 0.87 0.75 PR; IR; RB\nMOL000392 formononetin 69.67 0.78 0.02 0.21 RB\nMOL000449 Stigmasterol 43.83 1.44 1 0.76 PR; IR; HP; I; VH\nMOL000497 licochalcone a 40.79 0.82 -0.21 0.29 RB\nMOL000791 bicuculline 69.67 0.72 0.02 0.88 FF\nMOL000953 CLR 37.87 1.43 1.13 0.68 IR\nMOL001484 Inermine 75.18 0.89 0.4 0.54 RB\nMOL001645 Linoleyl acetate 42.1 1.36 1.08 0.2 HP\nMOL001663 (4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 32.03 0.61 0.39 0.76 VH\nMOL001676 Vilmorrianine C 33.96 0.59 0.14 0.22 PR\nMOL001677 asperglaucide 58.02 0.28 -0.22 0.52 PR\nMOL001689 acacetin 34.97 0.67 -0.05 0.24 PR; IR\nMOL001697 Sinoacutine 63.39 0.72 0.36 0.53 PR\nMOL001749 ZINC03860434 43.59 1.04 0.6 0.35 IR\nMOL001755 24-Ethylcholest-4-en-3-one 36.08 1.46 1.22 0.76 IR\nMOL001756 quindoline 33.17 1.5 0.99 0.22 IR\nMOL001769 beta-sitosterol dodecantate 34.57 1.28 0.57 0.57 IR\nMOL001771 poriferast-5-en-3beta-ol 36.91 1.45 1.14 0.75 IR\nMOL001774 Ineketone 37.14 0.39 0.1 0.3 IR\nMOL001779 Sinoacutine 49.11 0.7 0.39 0.46 IR\nMOL001781 Indigo 38.2 0.83 0.02 0.26 IR\nMOL001782 (2Z)-2-(2-oxoindolin-3-ylidene)indolin-3-one 48.4 0.85 -0.06 0.26 IR\nMOL001783 2-(9-((3-methyl-2-oxopent-3-en-1-yl)oxy)-2-oxo-1,2,8,9-tetrahydrofuro[2,3-h]quinolin-8-yl)propan-2-yl acetate 64 0.39 -0.09 0.57 IR\nMOL001792 DFV 32.76 0.51 -0.29 0.18 IR; RB\nMOL001793 (E)-2-[(3-indole)cyanomethylene-]-3-indolinone 54.59 1.06 0.22 0.32 IR\nMOL001800 rosasterol 35.87 1.28 0.89 0.75 IR\nMOL001803 Sinensetin 50.56 1.12 0.04 0.45 IR\nMOL001804 Stigmasta-5,22-diene-3beta,7alpha-diol 43.04 1.35 0.84 0.82 IR\nMOL001806 Stigmasta-5,22-diene-3beta,7beta-diol 42.56 1.37 0.81 0.83 IR\nMOL001810 6-(3-oxoindolin-2-ylidene)indolo[2,1-b]quinazolin-12-one 45.28 1.19 0.48 0.89 IR\nMOL001814 (E)-3-(3,5-dimethoxy-4-hydroxy-benzylidene)-2-indolinone 57.18 0.69 0.16 0.25 IR\nMOL001820 (E)-3-(3,5-dimethoxy-4-hydroxyb-enzylidene)-2-indolinone 65.17 0.28 -0.17 0.25 IR\nMOL001828 3-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one 51.84 0.81 0.03 0.56 IR\nMOL002311 Glycyrol 90.78 0.71 -0.2 0.67 RB\nMOL002565 Medicarpin 49.22 1 0.53 0.34 RB\nMOL002773 beta-carotene 37.18 2.25 1.52 0.58 VH\nMOL003281 20(S)-dammar-24-ene-3β,20-diol-3-acetate 40.23 0.93 0.28 0.82 FF\nMOL003290 (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one 52.3 0.78 0.17 0.48 FF\nMOL003295 (+)-pinoresinol monomethyl ether 53.08 0.69 0 0.57 FF\nMOL003306 ACon1_001697 85.12 0.76 0 0.57 FF\nMOL003308 (+)-pinoresinol monomethyl ether-4-D-beta-glucoside_qt 61.2 0.7 0.12 0.57 FF\nMOL003315 3beta-Acetyl-20,25-epoxydammarane-24alpha-ol 33.07 0.75 0.24 0.79 FF\nMOL003322 FORSYTHINOL 81.25 0.59 -0.08 0.57 FF\nMOL003330 (-)-Phillygenin 95.04 0.75 0.07 0.57 FF\nMOL003344 β-amyrin acetate 42.06 1.36 1.1 0.74 FF\nMOL003347 hyperforin 44.03 0.87 0.4 0.6 FF\nMOL003348 adhyperforin 44.03 0.93 0.58 0.61 FF\nMOL003365 Lactucasterol 40.99 0.88 0.5 0.85 FF\nMOL003370 Onjixanthone I 79.16 0.84 0.04 0.3 FF\nMOL003656 Lupiwighteone 51.64 0.68 -0.23 0.37 RB\nMOL003896 7-Methoxy-2-methyl isoflavone 42.56 1.16 0.56 0.2 RB\nMOL004598 3,5,6,7-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromone 31.97 0.75 0.08 0.59 HP\nMOL004609 Areapillin 48.96 0.6 -0.29 0.41 HP\nMOL004624 Longikaurin A 47.72 0.08 0.09 0.53 HP\nMOL004628 Octalupine 47.82 0.48 0.3 0.28 HP\nMOL004644 Sainfuran 79.91 0.9 0.23 0.23 HP\nMOL004653 (+)-Anomalin 46.06 0.46 0 0.66 HP\nMOL004718 α-spinasterol 42.98 1.28 0.79 0.76 HP\nMOL004805 (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one 31.79 1 0.25 0.72 RB\nMOL004806 euchrenone 30.29 1.09 0.39 0.57 RB\nMOL004808 glyasperin B 65.22 0.47 -0.09 0.44 RB\nMOL004810 glyasperin F 75.84 0.43 -0.15 0.54 RB\nMOL004811 Glyasperin C 45.56 0.71 0.07 0.4 RB\nMOL004814 Isotrifoliol 31.94 0.53 -0.25 0.42 RB\nMOL004815 (E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one 39.62 0.66 -0.12 0.35 RB\nMOL004820 kanzonols W 50.48 0.63 0.04 0.52 RB\nMOL004828 Glepidotin A 44.72 0.79 0.06 0.35 RB\nMOL004829 Glepidotin B 64.46 0.46 -0.09 0.34 RB\nMOL004833 Phaseolinisoflavan 32.01 1.01 0.46 0.45 RB\nMOL004835 Glypallichalcone 61.6 0.76 0.23 0.19 RB\nMOL004838 8-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol 58.44 1 0.34 0.38 RB\nMOL004848 licochalcone G 49.25 0.64 -0.04 0.32 RB\nMOL004849 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin 59.62 0.4 -0.23 0.43 RB\nMOL004855 Licoricone 63.58 0.53 -0.14 0.47 RB\nMOL004856 RBnin A 51.08 0.8 0.13 0.4 RB\nMOL004857 RBnin B 48.79 0.58 -0.1 0.45 RB\nMOL004863 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(2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one 36.57 0.72 -0.04 0.32 RB\nMOL004948 Isoglycyrol 44.7 0.91 0.05 0.84 RB\nMOL004957 HMO 38.37 0.79 0.25 0.21 RB\nMOL004959 1-Methoxyphaseollidin 69.98 1.01 0.48 0.64 RB\nMOL004966 3'-Hydroxy-4'-O-Methylglabridin 43.71 1 0.73 0.57 RB\nMOL004974 3'-Methoxyglabridin 46.16 0.94 0.47 0.57 RB\nMOL004978 2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxyphenol 36.21 1.12 0.61 0.52 RB\nMOL004980 Inflacoumarin A 39.71 0.73 -0.24 0.33 RB\nMOL004985 icos-5-enoic acid 30.7 1.22 1.09 0.2 RB\nMOL004988 Kanzonol F 32.47 1.18 0.56 0.89 RB\nMOL004989 6-prenylated eriodictyol 39.22 0.4 -0.29 0.41 RB\nMOL004991 7-Acetoxy-2-methylisoflavone 38.92 0.74 0.16 0.26 RB\nMOL004996 gadelaidic acid 30.7 1.2 0.94 0.2 RB\nMOL005000 RBnin G 60.44 0.78 0.23 0.39 RB\nMOL005001 RBnin H 50.1 0.6 -0.14 0.78 RB\nMOL005003 Licoagrocarpin 58.81 1.23 0.61 0.58 RB\nMOL005007 Glyasperins M 72.67 0.49 -0.04 0.59 RB\nMOL005012 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ID Molecule Name OB (%) Caco-2 BBB DL Source\nMOL000173 wogonin 30.68 0.79 0.04 0.23 FF\nMOL000211 Mairin 55.38 0.73 0.22 0.78 FF; RB\nMOL000239 Jaranol 50.83 0.61 -0.22 0.29 RB\nMOL000358 beta-sitosterol 36.91 1.32 0.99 0.75 PR; PCRR; IR; FF; VH\nMOL000359 sitosterol 36.91 1.32 0.87 0.75 PR; IR; RB\nMOL000392 formononetin 69.67 0.78 0.02 0.21 RB\nMOL000449 Stigmasterol 43.83 1.44 1 0.76 PR; IR; HP; I; VH\nMOL000497 licochalcone a 40.79 0.82 -0.21 0.29 RB\nMOL000791 bicuculline 69.67 0.72 0.02 0.88 FF\nMOL000953 CLR 37.87 1.43 1.13 0.68 IR\nMOL001484 Inermine 75.18 0.89 0.4 0.54 RB\nMOL001645 Linoleyl acetate 42.1 1.36 1.08 0.2 HP\nMOL001663 (4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 32.03 0.61 0.39 0.76 VH\nMOL001676 Vilmorrianine C 33.96 0.59 0.14 0.22 PR\nMOL001677 asperglaucide 58.02 0.28 -0.22 0.52 PR\nMOL001689 acacetin 34.97 0.67 -0.05 0.24 PR; IR\nMOL001697 Sinoacutine 63.39 0.72 0.36 0.53 PR\nMOL001749 ZINC03860434 43.59 1.04 0.6 0.35 IR\nMOL001755 24-Ethylcholest-4-en-3-one 36.08 1.46 1.22 0.76 IR\nMOL001756 quindoline 33.17 1.5 0.99 0.22 IR\nMOL001769 beta-sitosterol dodecantate 34.57 1.28 0.57 0.57 IR\nMOL001771 poriferast-5-en-3beta-ol 36.91 1.45 1.14 0.75 IR\nMOL001774 Ineketone 37.14 0.39 0.1 0.3 IR\nMOL001779 Sinoacutine 49.11 0.7 0.39 0.46 IR\nMOL001781 Indigo 38.2 0.83 0.02 0.26 IR\nMOL001782 (2Z)-2-(2-oxoindolin-3-ylidene)indolin-3-one 48.4 0.85 -0.06 0.26 IR\nMOL001783 2-(9-((3-methyl-2-oxopent-3-en-1-yl)oxy)-2-oxo-1,2,8,9-tetrahydrofuro[2,3-h]quinolin-8-yl)propan-2-yl acetate 64 0.39 -0.09 0.57 IR\nMOL001792 DFV 32.76 0.51 -0.29 0.18 IR; RB\nMOL001793 (E)-2-[(3-indole)cyanomethylene-]-3-indolinone 54.59 1.06 0.22 0.32 IR\nMOL001800 rosasterol 35.87 1.28 0.89 0.75 IR\nMOL001803 Sinensetin 50.56 1.12 0.04 0.45 IR\nMOL001804 Stigmasta-5,22-diene-3beta,7alpha-diol 43.04 1.35 0.84 0.82 IR\nMOL001806 Stigmasta-5,22-diene-3beta,7beta-diol 42.56 1.37 0.81 0.83 IR\nMOL001810 6-(3-oxoindolin-2-ylidene)indolo[2,1-b]quinazolin-12-one 45.28 1.19 0.48 0.89 IR\nMOL001814 (E)-3-(3,5-dimethoxy-4-hydroxy-benzylidene)-2-indolinone 57.18 0.69 0.16 0.25 IR\nMOL001820 (E)-3-(3,5-dimethoxy-4-hydroxyb-enzylidene)-2-indolinone 65.17 0.28 -0.17 0.25 IR\nMOL001828 3-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2,4-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one 51.84 0.81 0.03 0.56 IR\nMOL002311 Glycyrol 90.78 0.71 -0.2 0.67 RB\nMOL002565 Medicarpin 49.22 1 0.53 0.34 RB\nMOL002773 beta-carotene 37.18 2.25 1.52 0.58 VH\nMOL003281 20(S)-dammar-24-ene-3β,20-diol-3-acetate 40.23 0.93 0.28 0.82 FF\nMOL003290 (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one 52.3 0.78 0.17 0.48 FF\nMOL003295 (+)-pinoresinol monomethyl ether 53.08 0.69 0 0.57 FF\nMOL003306 ACon1_001697 85.12 0.76 0 0.57 FF\nMOL003308 (+)-pinoresinol monomethyl ether-4-D-beta-glucoside_qt 61.2 0.7 0.12 0.57 FF\nMOL003315 3beta-Acetyl-20,25-epoxydammarane-24alpha-ol 33.07 0.75 0.24 0.79 FF\nMOL003322 FORSYTHINOL 81.25 0.59 -0.08 0.57 FF\nMOL003330 (-)-Phillygenin 95.04 0.75 0.07 0.57 FF\nMOL003344 β-amyrin acetate 42.06 1.36 1.1 0.74 FF\nMOL003347 hyperforin 44.03 0.87 0.4 0.6 FF\nMOL003348 adhyperforin 44.03 0.93 0.58 0.61 FF\nMOL003365 Lactucasterol 40.99 0.88 0.5 0.85 FF\nMOL003370 Onjixanthone I 79.16 0.84 0.04 0.3 FF\nMOL003656 Lupiwighteone 51.64 0.68 -0.23 0.37 RB\nMOL003896 7-Methoxy-2-methyl isoflavone 42.56 1.16 0.56 0.2 RB\nMOL004598 3,5,6,7-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromone 31.97 0.75 0.08 0.59 HP\nMOL004609 Areapillin 48.96 0.6 -0.29 0.41 HP\nMOL004624 Longikaurin A 47.72 0.08 0.09 0.53 HP\nMOL004628 Octalupine 47.82 0.48 0.3 0.28 HP\nMOL004644 Sainfuran 79.91 0.9 0.23 0.23 HP\nMOL004653 (+)-Anomalin 46.06 0.46 0 0.66 HP\nMOL004718 α-spinasterol 42.98 1.28 0.79 0.76 HP\nMOL004805 (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one 31.79 1 0.25 0.72 RB\nMOL004806 euchrenone 30.29 1.09 0.39 0.57 RB\nMOL004808 glyasperin B 65.22 0.47 -0.09 0.44 RB\nMOL004810 glyasperin F 75.84 0.43 -0.15 0.54 RB\nMOL004811 Glyasperin C 45.56 0.71 0.07 0.4 RB\nMOL004814 Isotrifoliol 31.94 0.53 -0.25 0.42 RB\nMOL004815 (E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one 39.62 0.66 -0.12 0.35 RB\nMOL004820 kanzonols W 50.48 0.63 0.04 0.52 RB\nMOL004828 Glepidotin A 44.72 0.79 0.06 0.35 RB\nMOL004829 Glepidotin B 64.46 0.46 -0.09 0.34 RB\nMOL004833 Phaseolinisoflavan 32.01 1.01 0.46 0.45 RB\nMOL004835 Glypallichalcone 61.6 0.76 0.23 0.19 RB\nMOL004838 8-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol 58.44 1 0.34 0.38 RB\nMOL004848 licochalcone G 49.25 0.64 -0.04 0.32 RB\nMOL004849 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin 59.62 0.4 -0.23 0.43 RB\nMOL004855 Licoricone 63.58 0.53 -0.14 0.47 RB\nMOL004856 RBnin A 51.08 0.8 0.13 0.4 RB\nMOL004857 RBnin B 48.79 0.58 -0.1 0.45 RB\nMOL004863 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone 66.37 0.52 -0.13 0.41 RB\nMOL004866 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone 44.15 0.48 -0.28 0.41 RB\nMOL004879 Glycyrin 52.61 0.59 -0.13 0.47 RB\nMOL004882 Licocoumarone 33.21 0.84 0.06 0.36 RB\nMOL004883 Licoisoflavone 41.61 0.37 -0.27 0.42 RB\nMOL004884 Licoisoflavone B 38.93 0.46 -0.18 0.55 RB\nMOL004885 licoisoflavanone 52.47 0.39 -0.22 0.54 RB\nMOL004891 shinpterocarpin 80.3 1.1 0.68 0.73 RB\nMOL004907 Glyzaglabrin 61.07 0.34 -0.2 0.35 RB\nMOL004908 Glabridin 53.25 0.97 0.36 0.47 RB\nMOL004910 Glabranin 52.9 0.97 0.31 0.31 RB\nMOL004911 Glabrene 46.27 0.99 0.04 0.44 RB\nMOL004912 Glabrone 52.51 0.59 -0.11 0.5 RB\nMOL004913 1,3-dihydroxy-9-methoxy-6-benzofurano[3,2-c]chromenone 48.14 0.48 -0.19 0.43 RB\nMOL004915 Eurycarpin A 43.28 0.43 -0.06 0.37 RB\nMOL004941 (2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one 71.12 0.41 -0.25 0.18 RB\nMOL004945 (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one 36.57 0.72 -0.04 0.32 RB\nMOL004948 Isoglycyrol 44.7 0.91 0.05 0.84 RB\nMOL004957 HMO 38.37 0.79 0.25 0.21 RB\nMOL004959 1-Methoxyphaseollidin 69.98 1.01 0.48 0.64 RB\nMOL004966 3'-Hydroxy-4'-O-Methylglabridin 43.71 1 0.73 0.57 RB\nMOL004974 3'-Methoxyglabridin 46.16 0.94 0.47 0.57 RB\nMOL004978 2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxyphenol 36.21 1.12 0.61 0.52 RB\nMOL004980 Inflacoumarin A 39.71 0.73 -0.24 0.33 RB\nMOL004985 icos-5-enoic acid 30.7 1.22 1.09 0.2 RB\nMOL004988 Kanzonol F 32.47 1.18 0.56 0.89 RB\nMOL004989 6-prenylated eriodictyol 39.22 0.4 -0.29 0.41 RB\nMOL004991 7-Acetoxy-2-methylisoflavone 38.92 0.74 0.16 0.26 RB\nMOL004996 gadelaidic acid 30.7 1.2 0.94 0.2 RB\nMOL005000 RBnin G 60.44 0.78 0.23 0.39 RB\nMOL005001 RBnin H 50.1 0.6 -0.14 0.78 RB\nMOL005003 Licoagrocarpin 58.81 1.23 0.61 0.58 RB\nMOL005007 Glyasperins M 72.67 0.49 -0.04 0.59 RB\nMOL005012 Licoagroisoflavone 57.28 0.71 0.09 0.49 RB\nMOL005016 Odoratin 49.95 0.42 -0.24 0.3 RB\nMOL005017 Phaseol 78.77 0.76 -0.06 0.58 RB\nMOL005018 Xambioona 54.85 1.09 0.52 0.87 RB\nMOL005020 dehydroglyasperins C 53.82 0.68 -0.12 0.37 RB\nMOL005229 Artemetin 49.55 0.81 -0.09 0.48 VH\nMOL005503 Cornudentanone 39.66 0.47 0.09 0.33 VH\nMOL008752 Dihydroverticillatine 42.69 0.56 0.11 0.84 VH\nMOL013281 6,8-Dihydroxy-7-methoxyxanthone 35.83 0.68 0.1 0.21 PCRR\nMOL013287 Physovenine 106.21 0.51 0.2 0.19 PCRR\nMOL013288 Picralinal 58.01 0.23 -0.21 0.75 PCRR"}