Table 1 The active ingredients of THSWD
Drugs | Mol ID | Molecule Name | OB(%) | DL |
|---|---|---|---|---|
Baishao | MOL001910 | 11alpha,12alpha-epoxy-3beta-23-dihydroxy-30-norolean-20-en-28,12beta-olide | 64.77 | 0.38 |
| Â | MOL001918 | paeoniflorgenone | 87.59 | 0.37 |
| Â | MOL001919 | (3S,5R,8R,9R,10S,14S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-dione | 43.56 | 0.53 |
| Â | MOL001921 | Lactiflorin | 49.12 | 0.8 |
| Â | MOL001924 | Paeoniflorin | 53.87 | 0.79 |
| Â | MOL001925 | Paeoniflorin_qt | 68.18 | 0.4 |
| Â | MOL001928 | Albiflorin_qt | 66.64 | 0.33 |
| Â | MOL001930 | Benzoyl paeoniflorin | 31.27 | 0.75 |
| Â | MOL000211 | Mairin | 55.38 | 0.78 |
| Â | MOL000358 | Beta-sitosterol | 36.91 | 0.75 |
| Â | MOL000359 | Sitosterol | 36.91 | 0.75 |
| Â | MOL000422 | Kaempferol | 41.88 | 0.24 |
|  | MOL000492 | ( +)-catechin | 54.83 | 0.24 |
Chuanxiong | MOL001494 | Mandenol | 42 | 0.19 |
| Â | MOL002135 | Myricanone | 40.6 | 0.51 |
| Â | MOL002140 | Perlolyrine | 65.95 | 0.27 |
| Â | MOL002151 | Senkyunone | 47.66 | 0.24 |
| Â | MOL002157 | Wallichilide | 42.31 | 0.71 |
| Â | MOL000359 | Sitosterol | 36.91 | 0.75 |
| Â | MOL000433 | FA | 68.96 | 0.71 |
Danggui | MOL000358 | Beta-sitosterol | 36.91 | 0.75 |
| Â | MOL000449 | Stigmasterol | 43.83 | 0.76 |
Honghua | MOL001771 | Poriferast-5-en-3beta-ol | 36.91 | 0.75 |
| Â | MOL002680 | Flavoxanthin | 60.41 | 0.56 |
| Â | MOL002694 | 4-[(E)-4-(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)but-2-enylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one | 48.47 | 0.36 |
| Â | MOL002695 | Lignan | 43.32 | 0.65 |
| Â | MOL002698 | Lupeol-palmitate | 33.98 | 0.32 |
| Â | MOL002706 | Phytoene | 39.56 | 0.5 |
| Â | MOL002707 | Phytofluene | 43.18 | 0.5 |
| Â | MOL002710 | Pyrethrin II | 48.36 | 0.35 |
| Â | MOL002712 | 6-Hydroxykaempferol | 62.13 | 0.27 |
| Â | MOL002714 | Baicalein | 33.52 | 0.21 |
| Â | MOL002717 | qt_carthamone | 51.03 | 0.2 |
| Â | MOL002719 | 6-Hydroxynaringenin | 33.23 | 0.24 |
| Â | MOL002721 | Quercetagetin | 45.01 | 0.31 |
| Â | MOL002757 | 7,8-dimethyl-1H-pyrimido[5,6-g]quinoxaline-2,4-dione | 45.75 | 0.19 |
| Â | MOL002773 | Beta-carotene | 37.18 | 0.58 |
| Â | MOL002776 | Baicalin | 40.12 | 0.75 |
| Â | MOL000358 | Beta-sitosterol | 36.91 | 0.75 |
| Â | MOL000422 | Kaempferol | 41.88 | 0.24 |
| Â | MOL000449 | Stigmasterol | 43.83 | 0.76 |
| Â | MOL000006 | Luteolin | 36.16 | 0.25 |
| Â | MOL000953 | CLR | 37.87 | 0.68 |
| Â | MOL000098 | Quercetin | 46.43 | 0.28 |
Dihuang | MOL000359 | Sitosterol | 36.91 | 0.75 |
| Â | MOL000449 | Stigmasterol | 43.83 | 0.76 |
Taoren | MOL001323 | Sitosterol alpha1 | 43.28 | 0.78 |
| Â | MOL001328 | 2,3-didehydro GA70 | 63.29 | 0.5 |
| Â | MOL001329 | 2,3-didehydro GA77 | 88.08 | 0.53 |
| Â | MOL001339 | GA119 | 76.36 | 0.49 |
| Â | MOL001340 | GA120 | 84.85 | 0.45 |
| Â | MOL001342 | GA121-isolactone | 72.7 | 0.54 |
| Â | MOL001343 | GA122 | 64.79 | 0.5 |
| Â | MOL001344 | GA122-isolactone | 88.11 | 0.54 |
| Â | MOL001348 | Gibberellin 17 | 94.64 | 0.49 |
| Â | MOL001349 | 4a-formyl-7alpha-hydroxy-1-methyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid | 88.6 | 0.46 |
| Â | MOL001350 | GA30 | 61.72 | 0.54 |
| Â | MOL001351 | Gibberellin A44 | 101.61 | 0.54 |
| Â | MOL001352 | GA54 | 64.21 | 0.53 |
| Â | MOL001353 | GA60 | 93.17 | 0.53 |
| Â | MOL001355 | GA63 | 65.54 | 0.54 |
| Â | MOL001358 | Gibberellin 7 | 73.8 | 0.5 |
| Â | MOL001360 | GA77 | 87.89 | 0.53 |
| Â | MOL001361 | GA87 | 68.85 | 0.57 |
| Â | MOL001368 | 3-O-p-coumaroylquinic acid | 37.63 | 0.29 |
| Â | MOL001371 | Populoside_qt | 108.89 | 0.2 |
| Â | MOL000296 | Hederagenin | 36.91 | 0.75 |
| Â | MOL000358 | Beta-sitosterol | 36.91 | 0.75 |
| Â | MOL000493 | Campesterol | 37.58 | 0.71 |