Table 1.
Detail information of 60 ingredients.
| Mol ID | Molecule name | oral bioavailability (OB)% | drug-like properties (DL) |
|---|---|---|---|
| MOL000289 | pachymic acid | 33.63 | 0.81 |
| MOL008045 | 4′-Methylcapillarisin | 72.18 | 0.35 |
| MOL008041 | Eupatolitin | 42.55 | 0.37 |
| MOL008040 | Eupalitin | 46.11 | 0.33 |
| MOL008039 | Isoarcapillin | 57.40 | 0.41 |
| MOL007274 | Skrofulein | 30.35 | 0.30 |
| MOL005573 | Genkwanin | 37.13 | 0.24 |
| MOL004609 | Areapillin | 48.96 | 0.41 |
| MOL000098 | quercetin | 46.43 | 0.28 |
| MOL000239 | Jaranol | 50.83 | 0.29 |
| MOL000354 | isorhamnetin | 49.6 | 0.31 |
| MOL000371 | 3,9-di-O-methylnissolin | 53.74 | 0.48 |
| MOL000380 | (6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol | 64.26 | 0.42 |
| MOL010586 | formononetin | 66.39 | 0.21 |
| MOL000417 | Calycosin | 47.75 | 0.24 |
| MOL000422 | kaempferol | 41.88 | 0.24 |
| MOL004624 | Longikaurin A | 47.72 | 0.53 |
| MOL008968 | Gomisin-A | 30.69 | 0.78 |
| MOL000273 | (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid | 30.93 | 0.81 |
| MOL000280 | (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-isopropyl-hex-5-enoic acid | 31.07 | 0.82 |
| MOL000285 | (2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-3-keto-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-5-isopropyl-hex-5-enoic acid | 38.26 | 0.82 |
| MOL000398 | isoflavanone | 109.99 | 0.3 |
| MOL000378 | 7-O-methylisomucronulatol | 74.69 | 0.3 |
| MOL000438 | (3R)-3-(2-hydroxy-3,4-dimethoxyphenyl) chroman-7-ol | 67.67 | 0.26 |
| MOL008957 | Schizandrer B | 30.71 | 0.83 |
| MOL008974 | Gomisin G | 32.68 | 0.83 |
| MOL000296 | hederagenin | 36.91 | 0.75 |
| MOL000300 | dehydroeburicoic acid | 44.17 | 0.83 |
| MOL000291 | Poricoic Acid B | 30.52 | 0.75 |
| MOL000275 | trametenolic acid | 38.71 | 0.8 |
| MOL000290 | Poricoic acid A | 30.61 | 0.76 |
| MOL000358 | beta-sitosterol | 36.91 | 0.75 |
| MOL008047 | Artepillin A | 68.32 | 0.24 |
| MOL007719 | Deoxyshikonin | 73.85 | 0.18 |
| MOL005317 | Deoxyharringtonine | 39.27 | 0.81 |
| MOL000276 | 7,9(11)-dehydropachymic acid | 35.11 | 0.81 |
| MOL008043 | capillarisin | 57.56 | 0.31 |
| MOL008046 | Demethoxycapillarisin | 52.33 | 0.25 |
| MOL008992 | Wuweizisu C | 46.27 | 0.84 |
| MOL006554 | Taraxerol | 38.4 | 0.77 |
| MOL001645 | Linoleyl Acetate | 42.1 | 0.2 |
| MOL008956 | Angeloylgomisin O | 31.97 | 0.85 |
| MOL008978 | Gomisin R | 34.84 | 0.86 |
| MOL001979 | Lanosterol | 42.12 | 0.75 |
| MOL000279 | Cerevisterol | 37.96 | 0.77 |
| MOL000282 | ergosta-7,22E-dien-3beta-ol | 43.51 | 0.72 |
| MOL000283 | Ergosterol peroxide | 40.36 | 0.81 |
| MOL000287 | 3beta-Hydroxy-24-methylene-8-lanostene-21-oic acid | 38.7 | 0.81 |
| MOL000292 | poricoic acid C | 38.15 | 0.75 |
| MOL000033 | (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5S)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 36.23 | 0.78 |
| MOL000211 | Mairin | 55.38 | 0.78 |
| MOL002680 | Flavoxanthin | 60.41 | 0.56 |
| MOL004492 | Chrysanthemaxanthin | 38.72 | 0.58 |
| MOL000374 | 5′-hydroxyiso-muronulatol-2′,5′-di-O-glucoside | 41.72 | 0.69 |
| MOL000387 | Bifendate | 31.1 | 0.67 |
| MOL000439 | isomucronulatol-7,2′-di-O-glucosiole | 49.28 | 0.62 |
| MOL000433 | FA | 68.96 | 0.71 |
| MOL011455 | 20-Hexadecanoylingenol | 32.7 | 0.65 |
| MOL000442 | 1,7-Dihydroxy-3,9-dimethoxy pterocarpene | 39.05 | 0.48 |
| MOL000379 | 9,10-dimethoxypterocarpan-3-O-β-D-glucoside | 36.74 | 0.92 |