Table 1.
A list of the active compounds in CDD.
| Mol ID | Molecule name | 0B (%) | Caco-2 | DL |
|---|---|---|---|---|
| MOL001484 | Inermine | 75.18 | 0.89 | 0.54 |
| MOL001792 | DFV | 32.76 | 0.51 | 0.51 |
| MOL000211 | Mairin | 55.38 | 0.73 | 0.78 |
| MOL002311 | Glycyrol | 90.78 | 0.71 | 0.67 |
| MOL000239 | Jaranol | 50.83 | 0.61 | 0.29 |
| MOL002565 | Medicarpin | 49.22 | 1 | 0.34 |
| MOL000359 | Sitosterol | 36.91 | 1.32 | 0.75 |
| MOL003656 | Lupiwighteone | 51.64 | 0.68 | 0.37 |
| MOL003896 | 7-Methoxy-2-methyl isoflavone | 42.56 | 1.16 | 0.2 |
| MOL000392 | Formononetin | 69.67 | 0.78 | 0.21 |
| MOL000417 | Calycosin | 47.75 | 0.52 | 0.25 |
| 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 | 0.72 |
| MOL004806 | Euchrenone | 30.29 | 1.09 | 0.57 |
| MOL004808 | Glyasperin B | 65.22 | 0.47 | 0.44 |
| MOL004810 | Glyasperin F | 75.84 | 0.43 | 0.54 |
| MOL004811 | Glyasperin C | 45.56 | 0.71 | 0.4 |
| MOL004814 | Isotrifoliol | 31.94 | 0.53 | 0.42 |
| MOL004815 | (E)-1-(2,4-Dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-l-one | 39.62 | 0.66 | 0.35 |
| MOL004820 | Kanzonol W | 50.48 | 0.63 | 0.52 |
| MOL004827 | Semilicoisoflavone B | 48.78 | 0.45 | 0.55 |
| MOL004828 | Glepidotin A | 44.72 | 0.79 | 0.35 |
| MOL004829 | Glepidotin B | 64.46 | 0.46 | 0.34 |
| MOL004833 | Phaseolinisoflavan | 32.01 | 1.01 | 0.45 |
| MOL004835 | Glypallichalcone | 61.6 | 0.76 | 0.19 |
| MOL004838 | 8-(6-Hydroxy-2-benzofuranyl)-2,2-dimethyl-5-chromenol | 58.44 | 1 | 0.38 |
| MOL004841 | Licochalcone B | 76.76 | 0.47 | 0.19 |
| MOL004848 | Licochalcone G | 49.25 | 0.64 | 0.32 |
| MOL004849 | 3-(2,4-Dihydroxyphenyl)-8-(1,1-dimethylprop-2-enyl)-7-hydroxy-5-methoxy-coumarin | 59.62 | 0.4 | 0.43 |
| MOL004855 | Licoricone | 63.58 | 0.53 | 0.47 |
| MOL004856 | Gancaconin A | 51.08 | 0.8 | 0.4 |
| MOL004857 | Gancaconin B | 48.79 | 0.58 | 0.45 |
| MOL004863 | 3-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromone | 66.37 | 0.52 | 0.41 |
| MOL004864 | 5,7-Dihydroxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromone | 30.49 | 0.9 | 0.41 |
| MOL004866 | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone | 44.15 | 0.48 | 0.41 |
| MOL004879 | Glycyrin | 52.61 | 0.59 | 0.47 |
| MOL004882 | Licocoumarone | 33.21 | 0.84 | 0.36 |
| MOL004884 | Licoisoflavone B | 38.93 | 0.46 | 0.55 |
| MOL004891 | Shinpterocarpin | 80.3 | 1.1 | 0.73 |
| MOL004898 | (E)-3-[3,4-Dihydroxy-5-(3-methylbut-2-enyl)phenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-l-one | 46.27 | 0.41 | 0.31 |
| MOL004910 | Glabridin | 53.25 | 0.97 | 0.47 |
| MOL004911 | Glabridin | 52.9 | 0.97 | 0.31 |
| MOL004912 | Glabrone | 52.51 | 0.59 | 0.5 |
| MOL004913 | 1,3-Dihydroxy-9-methoxy-6-benzofurano[3,2-c]chromone | 48.14 | 0.48 | 0.43 |
| MOL004915 | Eurycarpin A | 43.28 | 0.43 | 0.37 |
| MOL004935 | Sigmoidin B | 34.88 | 0.42 | 0.41 |
| MOL004941 | (2R)-7-Hydroxy-2-(4-hydroxyphenyl)chroman-4-one | 71.12 | 0.41 | 0.18 |
| MOL004945 | (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one | 36.57 | 0.72 | 0.32 |
| MOL004948 | Isoglycyrol | 44.7 | 0.91 | 0.84 |
| MOL004949 | Isolicoflavonol | 45.17 | 0.54 | 0.42 |
| MOL004957 | HMO | 38.37 | 0.79 | 0.21 |
| MOL004959 | 1-Methoxyphaseollidin | 69.98 | 1.01 | 0.64 |
| MOL004966 | 3′-Hydroxy-4′-0-methylglabridin | 43.71 | 1 | 0.57 |
| MOL000497 | Licochalcone A | 40.79 | 0.82 | 0.29 |
| MOL004974 | 3′-Methylglabridin | 46.16 | 0.94 | 0.57 |
| MOL004978 | 2-[(3R)-8,8-Dimethyl-3,4-dihydro-2H-pyrano[6,5-f]chromen-3-yl]-5-methoxyphenol | 36.21 | 1.12 | 0.52 |
| MOL004980 | Inflacoumarin A | 39.71 | 0.73 | 0.33 |
| MOL004985 | Icso-5-enoic acid | 30.7 | 1.22 | 0.2 |
| MOL004988 | Kanzonol F | 32.47 | 1.18 | 0.89 |
| MOL004991 | 7-Acetoxy-2-methylisoflavone | 38.92 | 0.74 | 0.26 |
| MOL004993 | 8-Prenylated eriodictyol | 53.79 | 0.43 | 0.4 |
| MOL004996 | Gadelaidic acid | 30.7 | 1.2 | 0.2 |
| MOL000500 | Vestitol | 74.66 | 0.86 | 0.21 |
| MOL005000 | Gancaonin G | 60.44 | 0.78 | 0.39 |
| MOL005001 | Gancaonin H | 50.1 | 0.6 | 0.78 |
| MOL005003 | Licoagrocarpin | 58.81 | 1.23 | 0.58 |
| MOL005007 | Glyasperin M | 72.67 | 0.49 | 0.59 |
| MOL005012 | Licoagroiosoflavone | 57.28 | 0.71 | 0.49 |
| MOL005016 | Odoratin | 49.95 | 0.42 | 0.3 |
| MOL005017 | Phaseol | 78.77 | 0.76 | 0.58 |
| MOL005018 | Xambioona | 54.85 | 1.09 | 0.87 |
| MOL005020 | Dehydroglyasperin C | 53.82 | 0.68 | 0.37 |
| MOL000173 | Wogonin | 30.68 | 0.79 | 0.23 |
| MOL000184 | NSC63551 | 30.25 | 1.42 | 0.76 |
| MOL000186 | Stigmasterol 3-0-beta-D-glucopyranoside_qt | 43.83 | 1.31 | 0.76 |
| MOL000188 | 3β-Acetoxyatractylone | 40.57 | 1.22 | 0.22 |
| MOL000085 | Beta-daucosterol_qt | 36.91 | 1.3 | 0.75 |
| MOL000088 | Beta-sitosterol 3-0-glucoside_qt | 36.91 | 1.3 | 0.75 |
| MOL000092 | Daucosterin_qt | 36.91 | 1.42 | 0.76 |
| MOL000094 | Daucosterol_qt | 36.91 | 1.3 | 0.76 |
| MOL003542 | 8-Isopentenyl-kaempferol | 38.04 | 0.53 | 0.39 |
| MOL000358 | Beta-sitosterol | 36.91 | 1.32 | 0.75 |
| MOL004027 | 1,4-Epoxy-16-hydroxypheneicos-1,3,12,14,18-pentaene | 45.1 | 1.28 | 0.24 |
| MOL004053 | Isodalbergin | 35.45 | 0.8 | 0.2 |
| MOL004058 | Khell | 33.19 | 1.12 | 0.19 |
| MOL004068 | Rosenonolactone | 79.84 | 0.72 | 0.37 |
| MOL004071 | Hyndarin | 73.94 | 1 | 0.64 |
| MOL004074 | Stigmasterol glucoside_qt | 43.83 | 1.31 | 0.76 |
| MOL004077 | Sugeonyl acetate | 45.08 | 0.72 | 0.2 |
| MOL000449 | Stigmasterol | 43.83 | 1.44 | 0.76 |
| MOL013146 | 8,11,14-Docosatrienoic acid, methyl ester | 43.23 | 1.53 | 0.3 |
| MOL001510 | 24-Epicampesterol | 37.58 | 1.43 | 0.71 |
| MOL000953 | CLR | 37.87 | 1.43 | 0.68 |
| MOL001755 | 24-Ethylcholest-4-en-3-one | 36.08 | 1.46 | 0.76 |
| MOL002670 | Cavidine | 35.64 | 1.08 | 0.81 |
| MOL002714 | Baicalein | 33.52 | 0.63 | 0.21 |
| MOL005030 | Gondoic acid | 30.7 | 1.2 | 0.2 |
| MOL000519 | Coniferin | 31.11 | 0.42 | 0.32 |
| MOL006936 | 10,13-Eicosadienoic | 39.99 | 1.22 | 0.2 |
| MOL006957 | (3S,6S)-3-(Benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone | 46.89 | 0.41 | 0.27 |
| MOL003578 | Cycloartenol | 38.69 | 1.53 | 0.78 |
| MOL006129 | 6-Methylgingediacetate2 | 48.73 | 0.55 | 0.32 |
| MOL001771 | Poriferast-5-en-3beta-ol | 36.91 | 1.45 | 0.75 |
| MOL008698 | Dihydrocapsaicin | 47.07 | 0.98 | 0.19 |
| MOL005815 | Citromitin | 86.9 | 0.88 | 0.51 |
| MOL005828 | Nobiletin | 61.67 | 1.05 | 0.52 |
| MOL000275 | Trametenolic acid | 38.71 | 0.52 | 0.8 |
| MOL000282 | Ergosta-7,22E-dien-3beta-ol | 43.51 | 1.32 | 0.72 |
| MOL000283 | Ergosterol peroxide | 40.36 | 0.84 | 0.81 |
| MOL000287 | 3beta-Hydroxy-24-methylene-8-lanostene-21-oic acid | 38.7 | 0.61 | 0.81 |
| MOL000296 | Hederagenin | 36.91 | 1.32 | 0.75 |