Table 2.
The active ingredients of each herb contained in SFJDC
| Mol ID | Molecule Name | OB (%) | Caco-2 | BBB | DL | Source |
|---|---|---|---|---|---|---|
| MOL000173 | wogonin | 30.68 | 0.79 | 0.04 | 0.23 | FF |
| MOL000211 | Mairin | 55.38 | 0.73 | 0.22 | 0.78 | FF; RB |
| MOL000239 | Jaranol | 50.83 | 0.61 | -0.22 | 0.29 | RB |
| MOL000358 | beta-sitosterol | 36.91 | 1.32 | 0.99 | 0.75 | PR; PCRR; IR; FF; VH |
| MOL000359 | sitosterol | 36.91 | 1.32 | 0.87 | 0.75 | PR; IR; RB |
| MOL000392 | formononetin | 69.67 | 0.78 | 0.02 | 0.21 | RB |
| MOL000449 | Stigmasterol | 43.83 | 1.44 | 1 | 0.76 | PR; IR; HP; I; VH |
| MOL000497 | licochalcone a | 40.79 | 0.82 | -0.21 | 0.29 | RB |
| MOL000791 | bicuculline | 69.67 | 0.72 | 0.02 | 0.88 | FF |
| MOL000953 | CLR | 37.87 | 1.43 | 1.13 | 0.68 | IR |
| MOL001484 | Inermine | 75.18 | 0.89 | 0.4 | 0.54 | RB |
| MOL001645 | Linoleyl acetate | 42.1 | 1.36 | 1.08 | 0.2 | HP |
| MOL001663 | (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 |
| MOL001676 | Vilmorrianine C | 33.96 | 0.59 | 0.14 | 0.22 | PR |
| MOL001677 | asperglaucide | 58.02 | 0.28 | -0.22 | 0.52 | PR |
| MOL001689 | acacetin | 34.97 | 0.67 | -0.05 | 0.24 | PR; IR |
| MOL001697 | Sinoacutine | 63.39 | 0.72 | 0.36 | 0.53 | PR |
| MOL001749 | ZINC03860434 | 43.59 | 1.04 | 0.6 | 0.35 | IR |
| MOL001755 | 24-Ethylcholest-4-en-3-one | 36.08 | 1.46 | 1.22 | 0.76 | IR |
| MOL001756 | quindoline | 33.17 | 1.5 | 0.99 | 0.22 | IR |
| MOL001769 | beta-sitosterol dodecantate | 34.57 | 1.28 | 0.57 | 0.57 | IR |
| MOL001771 | poriferast-5-en-3beta-ol | 36.91 | 1.45 | 1.14 | 0.75 | IR |
| MOL001774 | Ineketone | 37.14 | 0.39 | 0.1 | 0.3 | IR |
| MOL001779 | Sinoacutine | 49.11 | 0.7 | 0.39 | 0.46 | IR |
| MOL001781 | Indigo | 38.2 | 0.83 | 0.02 | 0.26 | IR |
| MOL001782 | (2Z)-2-(2-oxoindolin-3-ylidene)indolin-3-one | 48.4 | 0.85 | -0.06 | 0.26 | IR |
| MOL001783 | 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 |
| MOL001792 | DFV | 32.76 | 0.51 | -0.29 | 0.18 | IR; RB |
| MOL001793 | (E)-2-[(3-indole)cyanomethylene-]-3-indolinone | 54.59 | 1.06 | 0.22 | 0.32 | IR |
| MOL001800 | rosasterol | 35.87 | 1.28 | 0.89 | 0.75 | IR |
| MOL001803 | Sinensetin | 50.56 | 1.12 | 0.04 | 0.45 | IR |
| MOL001804 | Stigmasta-5,22-diene-3beta,7alpha-diol | 43.04 | 1.35 | 0.84 | 0.82 | IR |
| MOL001806 | Stigmasta-5,22-diene-3beta,7beta-diol | 42.56 | 1.37 | 0.81 | 0.83 | IR |
| MOL001810 | 6-(3-oxoindolin-2-ylidene)indolo[2,1-b]quinazolin-12-one | 45.28 | 1.19 | 0.48 | 0.89 | IR |
| MOL001814 | (E)-3-(3,5-dimethoxy-4-hydroxy-benzylidene)-2-indolinone | 57.18 | 0.69 | 0.16 | 0.25 | IR |
| MOL001820 | (E)-3-(3,5-dimethoxy-4-hydroxyb-enzylidene)-2-indolinone | 65.17 | 0.28 | -0.17 | 0.25 | IR |
| MOL001828 | 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 |
| MOL002311 | Glycyrol | 90.78 | 0.71 | -0.2 | 0.67 | RB |
| MOL002565 | Medicarpin | 49.22 | 1 | 0.53 | 0.34 | RB |
| MOL002773 | beta-carotene | 37.18 | 2.25 | 1.52 | 0.58 | VH |
| MOL003281 | 20(S)-dammar-24-ene-3β,20-diol-3-acetate | 40.23 | 0.93 | 0.28 | 0.82 | FF |
| MOL003290 | (3R,4R)-3,4-bis[(3,4-dimethoxyphenyl)methyl]oxolan-2-one | 52.3 | 0.78 | 0.17 | 0.48 | FF |
| MOL003295 | (+)-pinoresinol monomethyl ether | 53.08 | 0.69 | 0 | 0.57 | FF |
| MOL003306 | ACon1_001697 | 85.12 | 0.76 | 0 | 0.57 | FF |
| MOL003308 | (+)-pinoresinol monomethyl ether-4-D-beta-glucoside_qt | 61.2 | 0.7 | 0.12 | 0.57 | FF |
| MOL003315 | 3beta-Acetyl-20,25-epoxydammarane-24alpha-ol | 33.07 | 0.75 | 0.24 | 0.79 | FF |
| MOL003322 | FORSYTHINOL | 81.25 | 0.59 | -0.08 | 0.57 | FF |
| MOL003330 | (-)-Phillygenin | 95.04 | 0.75 | 0.07 | 0.57 | FF |
| MOL003344 | β-amyrin acetate | 42.06 | 1.36 | 1.1 | 0.74 | FF |
| MOL003347 | hyperforin | 44.03 | 0.87 | 0.4 | 0.6 | FF |
| MOL003348 | adhyperforin | 44.03 | 0.93 | 0.58 | 0.61 | FF |
| MOL003365 | Lactucasterol | 40.99 | 0.88 | 0.5 | 0.85 | FF |
| MOL003370 | Onjixanthone I | 79.16 | 0.84 | 0.04 | 0.3 | FF |
| MOL003656 | Lupiwighteone | 51.64 | 0.68 | -0.23 | 0.37 | RB |
| MOL003896 | 7-Methoxy-2-methyl isoflavone | 42.56 | 1.16 | 0.56 | 0.2 | RB |
| MOL004598 | 3,5,6,7-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromone | 31.97 | 0.75 | 0.08 | 0.59 | HP |
| MOL004609 | Areapillin | 48.96 | 0.6 | -0.29 | 0.41 | HP |
| MOL004624 | Longikaurin A | 47.72 | 0.08 | 0.09 | 0.53 | HP |
| MOL004628 | Octalupine | 47.82 | 0.48 | 0.3 | 0.28 | HP |
| MOL004644 | Sainfuran | 79.91 | 0.9 | 0.23 | 0.23 | HP |
| MOL004653 | (+)-Anomalin | 46.06 | 0.46 | 0 | 0.66 | HP |
| MOL004718 | α-spinasterol | 42.98 | 1.28 | 0.79 | 0.76 | HP |
| MOL004805 | (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 |
| MOL004806 | euchrenone | 30.29 | 1.09 | 0.39 | 0.57 | RB |
| MOL004808 | glyasperin B | 65.22 | 0.47 | -0.09 | 0.44 | RB |
| MOL004810 | glyasperin F | 75.84 | 0.43 | -0.15 | 0.54 | RB |
| MOL004811 | Glyasperin C | 45.56 | 0.71 | 0.07 | 0.4 | RB |
| MOL004814 | Isotrifoliol | 31.94 | 0.53 | -0.25 | 0.42 | RB |
| MOL004815 | (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 |
| MOL004820 | kanzonols W | 50.48 | 0.63 | 0.04 | 0.52 | RB |
| MOL004828 | Glepidotin A | 44.72 | 0.79 | 0.06 | 0.35 | RB |
| MOL004829 | Glepidotin B | 64.46 | 0.46 | -0.09 | 0.34 | RB |
| MOL004833 | Phaseolinisoflavan | 32.01 | 1.01 | 0.46 | 0.45 | RB |
| MOL004835 | Glypallichalcone | 61.6 | 0.76 | 0.23 | 0.19 | RB |
| MOL004838 | 8-(6-hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol | 58.44 | 1 | 0.34 | 0.38 | RB |
| MOL004848 | licochalcone G | 49.25 | 0.64 | -0.04 | 0.32 | RB |
| MOL004849 | 3-(2,4-dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin | 59.62 | 0.4 | -0.23 | 0.43 | RB |
| MOL004855 | Licoricone | 63.58 | 0.53 | -0.14 | 0.47 | RB |
| MOL004856 | RBnin A | 51.08 | 0.8 | 0.13 | 0.4 | RB |
| MOL004857 | RBnin B | 48.79 | 0.58 | -0.1 | 0.45 | RB |
| MOL004863 | 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone | 66.37 | 0.52 | -0.13 | 0.41 | RB |
| MOL004866 | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone | 44.15 | 0.48 | -0.28 | 0.41 | RB |
| MOL004879 | Glycyrin | 52.61 | 0.59 | -0.13 | 0.47 | RB |
| MOL004882 | Licocoumarone | 33.21 | 0.84 | 0.06 | 0.36 | RB |
| MOL004883 | Licoisoflavone | 41.61 | 0.37 | -0.27 | 0.42 | RB |
| MOL004884 | Licoisoflavone B | 38.93 | 0.46 | -0.18 | 0.55 | RB |
| MOL004885 | licoisoflavanone | 52.47 | 0.39 | -0.22 | 0.54 | RB |
| MOL004891 | shinpterocarpin | 80.3 | 1.1 | 0.68 | 0.73 | RB |
| MOL004907 | Glyzaglabrin | 61.07 | 0.34 | -0.2 | 0.35 | RB |
| MOL004908 | Glabridin | 53.25 | 0.97 | 0.36 | 0.47 | RB |
| MOL004910 | Glabranin | 52.9 | 0.97 | 0.31 | 0.31 | RB |
| MOL004911 | Glabrene | 46.27 | 0.99 | 0.04 | 0.44 | RB |
| MOL004912 | Glabrone | 52.51 | 0.59 | -0.11 | 0.5 | RB |
| MOL004913 | 1,3-dihydroxy-9-methoxy-6-benzofurano[3,2-c]chromenone | 48.14 | 0.48 | -0.19 | 0.43 | RB |
| MOL004915 | Eurycarpin A | 43.28 | 0.43 | -0.06 | 0.37 | RB |
| MOL004941 | (2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one | 71.12 | 0.41 | -0.25 | 0.18 | RB |
| MOL004945 | (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one | 36.57 | 0.72 | -0.04 | 0.32 | RB |
| MOL004948 | Isoglycyrol | 44.7 | 0.91 | 0.05 | 0.84 | RB |
| MOL004957 | HMO | 38.37 | 0.79 | 0.25 | 0.21 | RB |
| MOL004959 | 1-Methoxyphaseollidin | 69.98 | 1.01 | 0.48 | 0.64 | RB |
| MOL004966 | 3'-Hydroxy-4'-O-Methylglabridin | 43.71 | 1 | 0.73 | 0.57 | RB |
| MOL004974 | 3'-Methoxyglabridin | 46.16 | 0.94 | 0.47 | 0.57 | RB |
| MOL004978 | 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 |
| MOL004980 | Inflacoumarin A | 39.71 | 0.73 | -0.24 | 0.33 | RB |
| MOL004985 | icos-5-enoic acid | 30.7 | 1.22 | 1.09 | 0.2 | RB |
| MOL004988 | Kanzonol F | 32.47 | 1.18 | 0.56 | 0.89 | RB |
| MOL004989 | 6-prenylated eriodictyol | 39.22 | 0.4 | -0.29 | 0.41 | RB |
| MOL004991 | 7-Acetoxy-2-methylisoflavone | 38.92 | 0.74 | 0.16 | 0.26 | RB |
| MOL004996 | gadelaidic acid | 30.7 | 1.2 | 0.94 | 0.2 | RB |
| MOL005000 | RBnin G | 60.44 | 0.78 | 0.23 | 0.39 | RB |
| MOL005001 | RBnin H | 50.1 | 0.6 | -0.14 | 0.78 | RB |
| MOL005003 | Licoagrocarpin | 58.81 | 1.23 | 0.61 | 0.58 | RB |
| MOL005007 | Glyasperins M | 72.67 | 0.49 | -0.04 | 0.59 | RB |
| MOL005012 | Licoagroisoflavone | 57.28 | 0.71 | 0.09 | 0.49 | RB |
| MOL005016 | Odoratin | 49.95 | 0.42 | -0.24 | 0.3 | RB |
| MOL005017 | Phaseol | 78.77 | 0.76 | -0.06 | 0.58 | RB |
| MOL005018 | Xambioona | 54.85 | 1.09 | 0.52 | 0.87 | RB |
| MOL005020 | dehydroglyasperins C | 53.82 | 0.68 | -0.12 | 0.37 | RB |
| MOL005229 | Artemetin | 49.55 | 0.81 | -0.09 | 0.48 | VH |
| MOL005503 | Cornudentanone | 39.66 | 0.47 | 0.09 | 0.33 | VH |
| MOL008752 | Dihydroverticillatine | 42.69 | 0.56 | 0.11 | 0.84 | VH |
| MOL013281 | 6,8-Dihydroxy-7-methoxyxanthone | 35.83 | 0.68 | 0.1 | 0.21 | PCRR |
| MOL013287 | Physovenine | 106.21 | 0.51 | 0.2 | 0.19 | PCRR |
| MOL013288 | Picralinal | 58.01 | 0.23 | -0.21 | 0.75 | PCRR |