| Molecule ID | Molecule name | PubChem CID | OB (%) | DL | Source (herb name) | Targeted key genes |
| MOL000098 | Quercetin | 5280343 | 46.43 | 0.28 | GanCao | AKT1, MMP9, TNF, JUN, IL6, CASP3, TP53, IL1B | MOL000006 | Luteolin | 5280445 | 36.16 | 0.25 | DanShen | AKT1, MMP9, TNF, JUN, IL6, CASP3, TP53 | MOL000422 | Kaempferol | 5280863 | 41.88 | 0.24 | GanCao | AKT1, TNF, JUN, CASP3 | MOL004328 | Naringenin | 932 | 59.29 | 0.21 | ZhiKe, GanCao | AKT1, MAPK3, CASP3 | MOL000392 | Formononetin | 5280378 | 69.67 | 0.21 | GanCao, SanLeng | JUN | MOL005828 | Nobiletin | 72344 | 61.67 | 0.52 | ZhiKe | MMP9, JUN, TP53 | MOL007154 | Tanshinone IIA | 164676 | 49.89 | 0.40 | DanShen | MMP9, JUN, CASP3, TP53 | MOL000497 | Licochalcone A | 5318998 | 40.79 | 0.29 | GanCao | STAT3 | MOL000354 | Isorhamnetin | 5281654 | 49.60 | 0.31 | GanCao | / | MOL004373 | Anhydroicaritin | 44259058 | 45.41 | 0.44 | QianNiuZi | / |
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