TABLE 1.
Compounds in HLJDT with oral bioavailability (OB) larger than 30% and drug-likeness (DL) larger than 0.18.
| Comp | Herbal compound | OB% | DL | Herb | Comp | Herbal compound | OB% | DL | Herb |
|---|---|---|---|---|---|---|---|---|---|
| 1 | Fumarine | 59.26 | 0.83 | CP1 | 31 | Berberine | 36.86 | 0.78 | RC6 |
| 2 | Cavidine | 35.64 | 0.81 | CP2 | 32 | (R)-canadine | 55.37 | 0.77 | RC7 |
| 3 | Chelerythrine | 34.18 | 0.78 | CP3 | 33 | Berberrubine | 35.74 | 0.73 | RC8 |
| 4 | (S)-canadine | 53.83 | 0.77 | CP4 | 34 | Palmatine | 64.6 | 0.65 | RC9 |
| 5 | Delta 7-stigmastenol | 37.42 | 0.75 | CP5 | 35 | Sitosterol | 36.91 | 0.75 | RS1 |
| 6 | Poriferast-5-en-3beta-ol | 36.91 | 0.75 | CP6 | 36 | 5,7,2,5-Tetrahydroxy-8,6-dimethoxyflavone | 33.82 | 0.45 | RS2 |
| 7 | Beta-sitosterol | 36.91 | 0.75 | CP7 | 37 | NEOBAICALEIN | 104.34 | 0.44 | RS3 |
| 8 | Thalifendine | 44.41 | 0.73 | CP8 | 38 | Skullcapflavone II | 69.51 | 0.44 | RS4 |
| 9 | Campesterol | 37.58 | 0.71 | CP9 | 39 | Diop | 43.59 | 0.39 | RS5 |
| 10 | Rutaecarpine | 40.3 | 0.6 | CP10 | 40 | Rivularin | 37.94 | 0.37 | RS6 |
| 11 | Isocorypalmine | 35.77 | 0.59 | CP11 | 41 | 5,2′-dihydroxy-6,7,8-trimethoxyflavone | 31.71 | 0.35 | RS7 |
| 12 | Phellavin_qt | 35.86 | 0.44 | CP12 | 42 | Salvigenin | 49.07 | 0.33 | RS8 |
| 13 | Dehydrotanshinone II A | 43.76 | 0.4 | CP13 | 43 | 5,2′,6′-trihydroxy-7,8-dimethoxyflavone | 45.05 | 0.33 | RS9 |
| 14 | phellamurin_qt | 56.6 | 0.39 | CP14 | 44 | Pangolin | 76.26 | 0.29 | RS10 |
| 15 | Phellopterin | 40.19 | 0.28 | CP15 | 45 | 5,7,4′-trihydroxy-6-methoxyflavanone | 36.63 | 0.27 | RS11 |
| 16 | Stigmasterol | 43.83 | 0.76 | FG1 | 46 | 5,7,4′-trihydroxy-8-methoxyflavone | 36.56 | 0.27 | RS12 |
| 17 | Sudan III | 84.07 | 0.59 | FG2 | 47 | 5,7,4′-trihydroxy-8-methoxyflavanone | 74.24 | 0.26 | RS13 |
| 18 | 5-Hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromone | 51.96 | 0.41 | FG3 | 48 | Moslosooflavone | 44.09 | 0.25 | RS14 |
| 19 | 3-Methylkempferol | 60.16 | 0.26 | FG4 | 49 | Ent-epicatechin | 48.96 | 0.24 | RS15 |
| 20 | Crocetin | 35.3 | 0.26 | FG5 | 50 | Eriodyctiol (flavanone) | 41.35 | 0.24 | RS16 |
| 21 | Kaempferol | 41.88 | 0.24 | FG6 | 51 | Carthamidin | 41.15 | 0.24 | RS17 |
| 22 | Ammidin | 34.55 | 0.22 | FG7 | 52 | 5,7,2′,6′-tetrahydroxyflavone | 37.01 | 0.24 | RS18 |
| 23 | Mandenol | 42 | 0.19 | FG8 | 53 | Acacetin | 34.97 | 0.24 | RS19 |
| 24 | Worenine | 45.83 | 0.87 | RC1 | 54 | DIHYDROOROXYLIN | 66.06 | 0.23 | RS20 |
| 25 | Quercetin | 46.43 | 0.28 | RC10 | 55 | Oroxylin a | 41.37 | 0.23 | RS21 |
| 26 | Coptisine | 30.67 | 0.86 | RC2 | 56 | Wogonin | 30.68 | 0.23 | RS22 |
| 27 | Berlambine | 36.68 | 0.82 | RC3 | 57 | Dihydrobaicalin_qt | 40.04 | 0.21 | RS23 |
| 28 | CorchorosideA_qt | 104.95 | 0.78 | RC4 | 58 | Norwogonin | 39.4 | 0.21 | RS24 |
| 29 | Epiberberine | 43.09 | 0.78 | RC5 | 59 | Baicalein | 33.52 | 0.21 | RS25 |
| 30 | Fumarine | 59.26 | 0.83 | CP1 |