TABLE 1.
Information for the candidate bioactive compounds of GQD.
| ID | Chemical | OB (%) | Caco-2 | DL | Herb |
|---|---|---|---|---|---|
| C01 | Puerarin | 24.03 | −1.15 | 0.69 | GG |
| C02 | Formononetin | 69.67 | 0.78 | 0.21 | GG GC |
| C03 | Daidzein | 19.44 | 0.59 | 0.19 | GG |
| C04 | Beta-sitosterol | 36.91 | 1.32 | 0.75 | GG HQ |
| C05 | 3′-methoxydaidzein | 48.57 | 0.56 | 0.24 | GG |
| C06 | Coptisine | 30.67 | 1.21 | 0.86 | HQ HL |
| C07 | Epiberberine | 43.09 | 1.17 | 0.78 | HQ HL |
| C08 | Berberine | 36.86 | 1.24 | 0.78 | HL |
| C09 | Berberrubine | 35.74 | 1.07 | 0.73 | HL |
| C10 | (R)-canadine | 55.37 | 1.04 | 0.77 | HL |
| C11 | Berlambine | 36.68 | 0.97 | 0.82 | HL |
| C12 | Palmatine | 64.60 | 1.33 | 0.65 | HL |
| C13 | Worenine | 45.83 | 1.22 | 0.87 | HL |
| C14 | Moupinamide | 86.71 | 0.55 | 0.26 | Hl |
| C15 | 5,2′,6′-trihydroxy-7,8-dimethosyflavone | 45.05 | 0.48 | 0.33 | HQ |
| C16 | 5,2′-dihydroxy-6,7,8-trimethoxyflavone | 31.71 | 0.93 | 0.35 | HQ |
| C17 | 5,7,4′-trihydroxy-6-methoxyflavanone | 36.63 | 0.43 | 0.27 | HQ |
| C18 | Acacetin | 34.97 | 0.67 | 0.24 | HQ |
| C19 | Baicalein | 33.52 | 0.63 | 0.21 | HQ |
| C20 | Dihydrobaicalin | 40.04 | 0.56 | 0.21 | HQ |
| C21 | Dihydrooroxylin | 66.06 | 0.67 | 0.23 | HQ |
| C22 | Moslosooflavone | 44.09 | 1.01 | 0.25 | HQ |
| C23 | Norwogonin | 39.40 | 0.60 | 0.21 | HQ |
| C24 | Oroxylin a | 41.37 | 0.76 | 0.23 | HQ |
| C25 | Panicolin | 76.26 | 0.84 | 0.29 | HQ |
| C26 | Rivularin | 37.94 | 0.65 | 0.37 | HQ |
| C27 | Salvigenin | 49.07 | 0.86 | 0.33 | HQ |
| C28 | Skullcapflavone Ⅱ | 69.51 | 0.68 | 0.44 | HQ |
| C29 | Stigmasterol | 43.83 | 1.44 | 0.76 | HQ |
| C30 | Supraene | 33.55 | 2.08 | 0.42 | HQ |
| C31 | Wogonin | 30.68 | 0.79 | 0.23 | HQ |
| C32 | 1-Methoxyphaseollidin | 69.98 | 1.01 | 0.64 | GC |
| C33 | 3′-hydroxy-4′-O-Methylglabrindin | 43.71 | 1.00 | 0.57 | GC |
| C34 | 3′-methoxyglabridin | 46.16 | 0.94 | 0.57 | GC |
| C35 | 7-Acetoxy-2-methylisoflavone | 38.92 | 0.74 | 0.26 | GC |
| C36 | 7-Methoxy-2-methylisoflavone | 42.56 | 1.16 | 0.20 | GC |
| C37 | Calycosin | 47.75 | 0.52 | 0.24 | GC |
| C38 | DFV | 32.76 | 0.51 | 0.18 | GC |
| C39 | Eurycaprin A | 43.28 | 0.43 | 0.37 | GC |
| C40 | Gancaonin A | 51.08 | 0.80 | 0.40 | GC |
| C41 | Gancaonin B | 48.79 | 0.58 | 0.45 | GC |
| C42 | Gancaonin G | 60.44 | 0.78 | 0.39 | GC |
| C43 | Glabranin | 52.90 | 0.97 | 0.31 | GC |
| C44 | Glabrene | 46.27 | 0.99 | 0.44 | GC |
| C45 | Glabridin | 53.25 | 0.97 | 0.47 | GC |
| C46 | Glabrone | 52.51 | 0.59 | 0.50 | GC |
| C47 | Glepidotin A | 44.72 | 0.79 | 0.35 | GC |
| C48 | Glyasperin B | 65.22 | 0.47 | 0.44 | GC |
| C49 | Glyasperin C | 45.56 | 0.71 | 0.40 | GC |
| C50 | Glyasperin F | 75.84 | 0.43 | 0.54 | GC |
| C51 | Glycyrin | 52.61 | 0.59 | 0.47 | GC |
| C52 | Glycyrol | 90.78 | 0.71 | 0.67 | GC |
| C53 | Glypallichalcone | 61.60 | 0.76 | 0.19 | GC |
| C54 | HMO | 38.37 | 0.79 | 0.21 | GC |
| C55 | Inermine | 75.18 | 0.89 | 0.54 | GC |
| C56 | Inflacoumarin A | 39.71 | 0.73 | 0.33 | GC |
| C57 | Isoglycyrol | 44.70 | 0.91 | 0.84 | GC |
| C58 | Isolicoflavonol | 45.17 | 0.54 | 0.42 | GC |
| C59 | Isotrifoliol | 31.94 | 0.53 | 0.42 | GC |
| C60 | Jaranol | 50.83 | 0.61 | 0.29 | GC |
| C61 | Kanzonols W | 50.48 | 0.63 | 0.52 | GC |
| C62 | Licoagrocarpin | 58.81 | 1.23 | 0.58 | GC |
| C63 | Licoagroisoflavone | 57.28 | 0.71 | 0.49 | GC |
| C64 | Licochalcone A | 40.79 | 0.82 | 0.29 | GC |
| C65 | Licochalcone B | 76.76 | 0.47 | 0.19 | GC |
| C66 | Licochalcone G | 49.25 | 0.64 | 0.32 | GC |
| C67 | Licoisoflavone B | 38.93 | 0.46 | 0.55 | GC |
| C68 | Licoricone | 63.58 | 0.53 | 0.47 | GC |
| C69 | Lupiwighteone | 51.64 | 0.68 | 0.37 | GC |
| C70 | Mairin | 55.38 | 0.73 | 0.78 | GC |
| C71 | Medicarpin | 49.22 | 1.00 | 0.34 | GC |
| C72 | Odoratin | 49.95 | 0.42 | 0.30 | GC |
| C73 | Phaseol | 78.77 | 0.76 | 0.58 | GC |
| C74 | Phaseolinisoflavan | 32.01 | 1.01 | 0.45 | GC |
| C75 | Semilicoisoflavone B | 48.78 | 0.45 | 0.55 | GC |
| C76 | Shinpterocarpin | 80.30 | 1.10 | 0.73 | GC |
| C77 | Vestitol | 74.66 | 0.86 | 0.21 | GC |
OB, oral bioavailability; Caco-2, Caco-2 cell permeability; DL, drug-likeness.