MOL ID | Compound | Shufeng Jiedu Capsule | binding energy (kJ·mol−1) | |||||||
HZ | LQ | BLG | BJC | CH | MBC | LG | GC | |||
MOL000098 | quercetin | √ | √ | — | √ | √ | √ | — | √ | −25.52 |
MOL000422 | kaempferol | — | √ | — | √ | √ | √ | — | √ | −25.10 |
MOL000006 | luteolin | √ | √ | — | √ | — | √ | — | — | −28.45 |
MOL000358 | beta-sitosterol | √ | √ | √ | √ | — | √ | — | — | −25.94 |
MOL000449 | Stigmasterol | — | — | √ | √ | √ | √ | √ | — | −26.35 |
MOL000354 | isorhamnetin | — | — | — | — | √ | — | — | √ | −24.68 |
MOL000173 | wogonin | — | √ | — | — | — | — | — | — | −25.94 |
MOL001689 | acacetin | — | — | √ | √ | — | — | — | — | −24.68 |
MOL003896 | 7-Methoxy-2-methyl isoflavone | — | — | — | — | — | — | — | √ | −23.84 |
MOL004328 | naringenin | — | — | — | — | — | — | — | √ | −26.35 |
MOL000392 | formononetin | — | — | — | — | — | — | — | √ | −28.86 |
MOL013287 | Physovenine | √ | — | — | — | — | — | — | — | −25.10 |
MOL000497 | Licochalcone A | — | — | — | — | — | — | — | √ | −25.94 |
MOL004891 | Shinpterocarpin | — | — | — | — | — | — | — | √ | −28.45 |
MOL004978 | 2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[6,5-f] chromen-3-yl]-5-methoxyphenol | — | — | — | — | — | — | — | √ | −30.54 |
MOL002565 | Medicarpin | — | — | — | — | — | — | — | √ | −25.94 |
MOL000500 | Vestitol | — | — | — | — | — | — | — | √ | −24.26 |
MOL005003 | Licoagrocarpin | — | — | — | — | — | — | — | √ | −27.61 |
MOL002773 | beta-carotene | — | — | — | — | — | √ | — | — | −28.45 |
MOL004835 | Glypallichalcone | — | — | — | — | — | — | — | √ | −22.17 |
MOL004974 | 3'-Methoxyglabridin | — | — | — | — | — | — | — | √ | −29.70 |
MOL000791 | bicuculline | — | √ | — | — | — | — | — | — | −32.21 |
MOL004908 | Glabridin | — | — | — | — | — | — | — | √ | −28.45 |
MOL004957 | HMO | — | — | — | — | — | — | — | √ | −20.92 |
MOL004959 | 1-Methoxyphaseollidin | — | — | — | — | — | — | — | √ | −24.26 |
MOL004966 | 3'-Hydroxy-4'-O-Methylglabridin | — | — | — | — | — | — | — | √ | −30.12 |