Table 5.
Detailed information on the active compounds in the ACP.
| Mol ID | Mol Name | Structure | OB (%) | DL |
|---|---|---|---|---|
| MOL000359 | sitosterol |
|
36.91 | 0.75 |
| MOL000358 | beta-sitosterol |
|
36.91 | 0.75 |
| MOL011169 | Peroxyergosterol |
|
44.39 | 0.82 |
| MOL000073 | ent-Epicatechin |
|
48.96 | 0.24 |
| MOL000492 | (+)-catechin |
|
54.83 | 0.24 |
| MOL004576 | taxifolin |
|
57.84 | 0.27 |
| MOL001736 | (−)-taxifolin |
|
60.51 | 0.27 |
| MOL000387 | Bifendate |
|
31.10 | 0.67 |
| 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 |
| MOL000379 | 9,10-dimethoxypterocarpan-3-O-β-D-glucoside |
|
36.74 | 0.92 |
| MOL000296 | hederagenin |
|
36.91 | 0.75 |
| MOL000442 | 1,7-Dihydroxy-3,9-dimethoxy pterocarpene |
|
39.05 | 0.48 |
| MOL000374 | 5′-hydroxyiso-muronulatol-2′,5′-di-O-glucoside |
|
41.72 | 0.69 |
| MOL000422 | kaempferol |
|
41.88 | 0.24 |
| MOL000098 | quercetin |
|
46.43 | 0.28 |
| MOL000417 | Calycosin |
|
47.75 | 0.24 |
| MOL000439 | isomucronulatol-7,2′-di-O-glucosiole |
|
49.28 | 0.62 |
| MOL000354 | isorhamnetin |
|
49.60 | 0.31 |
| MOL000239 | Jaranol |
|
50.83 | 0.29 |
| MOL000371 | 3,9-di-O-methylnissolin |
|
53.74 | 0.48 |
| MOL000211 | Mairin |
|
55.38 | 0.78 |
| MOL000380 | (6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-benzofurano [3,2-c]chromen-3-ol |
|
64.26 | 0.42 |
| MOL000438 | (3R)-3-(2-hydroxy-3,4-dimethoxyphenyl)chroman-7-ol |
|
67.67 | 0.26 |
| MOL000433 | FA |
|
68.96 | 0.71 |
| MOL000392 | formononetin |
|
69.67 | 0.21 |
| MOL000378 | 7-O-methylisomucronulatol |
|
74.69 | 0.30 |
| MOL000398 | isoflavanone |
|
109.99 | 0.30 |
Mol ID: molecule ID; Mol name: molecule name; OB: oral bioavailability; DL: drug-likeness.