Table 1 The potential active compounds and targets in SHD
Drug | Molecule name | OB (%) | DL | Target number |
|---|---|---|---|---|
CR1 | berberine | 36.86 | 0.78 | 17 |
CR | Obacunone | 43.29 | 0.77 | 0 |
CR2 | berberrubine | 35.74 | 0.73 | 13 |
CR(B1) | epiberberine | 43.09 | 0.78 | 11 |
CR3 | (R)-Canadine | 55.37 | 0.77 | 31 |
CR4 | Berlambine | 36.68 | 0.82 | 20 |
CR5 | Corchoroside A_qt | 104.95 | 0.78 | 2 |
CR6 | Magnograndiolide | 63.71 | 0.19 | 4 |
CR | Palmidin A | 35.36 | 0.65 | 0 |
CR7 | palmatine | 64.6 | 0.65 | 19 |
CR8 | quercetin | 46.43 | 0.28 | 154 |
CR(B2) | coptisine | 30.67 | 0.86 | 9 |
CR9 | Worenine | 45.83 | 0.87 | 7 |
CR | Moupinamide | 86.71 | 0.26 | 0 |
SR1 | acacetin | 34.97 | 0.24 | 26 |
SR2 | wogonin | 30.68 | 0.23 | 45 |
SR3 | (2R)-7-hydroxy-5-methoxy-2-phenylchroman-4-one | 55.23 | 0.2 | 21 |
SR4 | baicalein | 33.52 | 0.21 | 37 |
SR | 5,8,2ʹ-Trihydroxy-7-methoxyflavone | 37.01 | 0.27 | 0 |
SR5 | 5,7,2,5-tetrahydroxy-8,6-dimethoxyflavone | 33.82 | 0.45 | 13 |
SR6 | Carthamidin | 41.15 | 0.24 | 4 |
SR | 2,6,2ʹ,4ʹ-tetrahydroxy-6ʹ-methoxychaleone | 69.04 | 0.22 | 0 |
SR7 | Dihydrobaicalin_qt | 40.04 | 0.21 | 3 |
SR8 | Eriodyctiol (flavanone) | 41.35 | 0.24 | 8 |
SR9 | Salvigenin | 49.07 | 0.33 | 18 |
SR10 | 5,2ʹ,6ʹ-Trihydroxy-7,8-dimethoxyflavone | 45.05 | 0.33 | 17 |
SR11 | 5,7,2ʹ,6ʹ-Tetrahydroxyflavone | 37.01 | 0.24 | 6 |
SR | dihydrooroxylin A | 38.72 | 0.23 | 0 |
SR12 | Skullcapflavone II | 69.51 | 0.44 | 21 |
SR13 | oroxylin a | 41.37 | 0.23 | 26 |
SR14 | Panicolin | 76.26 | 0.29 | 14 |
SR15 | 5,7,4ʹ-Trihydroxy-8-methoxyflavone | 36.56 | 0.27 | 18 |
SR16 | NEOBAICALEIN | 104.34 | 0.44 | 22 |
SR17 | DIHYDROOROXYLIN | 66.06 | 0.23 | 11 |
SR(A) | beta-sitosterol | 36.91 | 0.75 | 38 |
SR18 | sitosterol | 36.91 | 0.75 | 3 |
SR19 | Norwogonin | 39.4 | 0.21 | 12 |
SR20 | 5,2ʹ-Dihydroxy-6,7,8-trimethoxyflavone | 31.71 | 0.35 | 21 |
SR21 | ent-Epicatechin | 48.96 | 0.24 | 6 |
SR22 | Stigmasterol | 43.83 | 0.76 | 31 |
SR(B2) | coptisine | 30.67 | 0.86 | 9 |
SR23 | bis[(2S)-2-ethylhexyl] benzene-1,2-dicarboxylate | 43.59 | 0.35 | 1 |
SR | Supraene | 33.55 | 0.42 | 0 |
SR24 | Diop | 43.59 | 0.39 | 3 |
SR(B1) | Epiberberine | 43.09 | 0.78 | 11 |
SR25 | Moslosooflavone | 44.09 | 0.25 | 25 |
SR26 | 11,13-Eicosadienoic acid, methyl ester | 39.28 | 0.23 | 1 |
SR27 | 5,7,4ʹ-trihydroxy-6-methoxyflavanone | 36.63 | 0.27 | 6 |
SR28 | 5,7,4ʹ-trihydroxy-8-methoxyflavanone | 74.24 | 0.26 | 6 |
SR29 | rivularin | 37.94 | 0.37 | 22 |
RR1 | EUPATIN | 50.8 | 0.41 | 16 |
RR | Mutatochrome | 48.64 | 0.61 | 0 |
RR2 | Physciondiglucoside | 41.65 | 0.63 | 1 |
RR | Procyanidin B-5,3ʹ-O-gallate | 31.99 | 0.32 | 0 |
RR3 | rhein | 47.07 | 0.28 | 7 |
RR | Sennoside E_qt | 50.69 | 0.61 | 0 |
RR4 | Torachrysone-8-O-beta-d-(6ʹ-oxayl)-glucoside | 43.02 | 0.74 | 1 |
RR5 | Toralactone | 46.46 | 0.24 | 9 |
RR6 | Emodin-1-O-beta-d-glucopyranoside | 44.81 | 0.8 | 1 |
RR | Sennoside D_qt | 61.06 | 0.61 | 0 |
RR7 | Daucosterol_qt | 35.89 | 0.7 | 2 |
RR | palmidin A | 32.45 | 0.65 | 0 |
RR (A) | beta-sitosterol | 36.91 | 0.75 | 38 |
RR8 | aloe-emodin | 83.38 | 0.24 | 24 |
RR | gallic acid-3-O-(6ʹ-O-galloyl)-glucoside | 30.25 | 0.67 | 0 |
RR9 | (−)-catechin | 49.68 | 0.24 | 11 |