31 August 2020>: Database Analysis
A Network Pharmacology Analysis of the Active Components of the Traditional Chinese Medicine Zuojinwan in Patients with Gastric Cancer
Zheyu Zhang 1AE* , Bin Li 2B* , Jianhua Huang 3C , Siqi Huang 1B , Dan He 3D , Weijun Peng 1FG* , Sifang Zhang 1G*DOI: 10.12659/MSM.923327
Med Sci Monit 2020; 26:e923327
Table 1 A list of the active compounds in Zuojinwan for network analysis.
MOL ID | Compound name | Molecular formula | OB | DL |
---|---|---|---|---|
MOL001454 | Berberine | C20H18NO4+ | 36.86 | 0.78 |
MOL013352 | Obacunone | C26H30O7 | 43.29 | 0.77 |
MOL000098 | Quercetin | C15H10O7 | 46.43 | 0.28 |
MOL002662 | Rutaecarpine | C18H13N3O | 40.3 | 0.6 |
MOL000354 | Isorhamnetin | C16H12O7 | 49.6 | 0.31 |
MOL000358 | Beta-sitosterol | C29H50O | 36.91 | 0.75 |
MOL000359 | Sitosterol | C29H50O | 36.91 | 0.75 |
MOL003942 | Rutaevine | C26H30O9 | 66.05 | 0.58 |
MOL003943 | Rutalinidine | C15H17NO4 | 40.89 | 0.22 |
MOL003947 | 1-methyl-2-[(Z)-pentadec-10-enyl]-4-quinolone | C25H37NO | 48.45 | 0.46 |
MOL003950 | 1-methyl-2-[(Z)-undec-6-enyl]-4-quinolone | C21H29NO | 48.48 | 0.27 |
MOL003956 | Dihydrorutaecarpine | C18H15N3O | 42.27 | 0.6 |
MOL003957 | 1-methyl-2-pentadecyl-4-quinolone | C25H39NO | 44.52 | 0.46 |
MOL003958 | Evodiamine | C19H17N3O | 86.02 | 0.64 |
MOL003960 | 1-(5,7,8-trimethoxy-2,2-dimethylchromen-6-yl)ethanone | C16H20O5 | 30.39 | 0.18 |
MOL003963 | Hydroxyevodiamine | C19H17N3O2 | 72.11 | 0.71 |
MOL003964 | 1-methyl-2-undecyl-4-quinolone | C21H31NO | 47.59 | 0.27 |
MOL003972 | 1-methyl-2-nonyl-4-quinolone | C19H27NO | 48.42 | 0.2 |
MOL003974 | Evocarpine | C23H33NO | 48.66 | 0.36 |
MOL003975 | Icosa-11,14,17-trienoic acid methyl ester | C21H36O2 | 44.81 | 0.23 |
MOL003988 | 2-Hydroxy-3-formyl-7-methoxycarbazole | C14H11NO3 | 83.08 | 0.18 |
MOL003994 | 24-methyl-31-norlanost-9(11)-enol | C30H52O | 38 | 0.75 |
MOL004002 | 5alpha-O-(3′-methylamino-3′-phenylpropionyl)nicotaxine | C40H48N2O10 | 30.86 | 0.49 |
MOL004004 | 6-OH-Luteolin | C15H10O7 | 46.93 | 0.28 |
MOL004014 | Evodiamide | C19H21N3O | 73.77 | 0.28 |
MOL004017 | Fordimine | C16H20N2O | 55.11 | 0.26 |
MOL004018 | Goshuyuamide I | C19H19N3O | 83.19 | 0.39 |
MOL004019 | Goshuyuamide II | C19H17N3O2 | 69.11 | 0.43 |
MOL004020 | Gossypetin | C15H10O8 | 35 | 0.31 |
MOL004021 | Gravacridoneshlirine | C19H18ClNO4 | 63.73 | 0.54 |
MOL004025 | N-(2-methylaminobenzoyl)tryptamine | C18H19N3O | 56.96 | 0.26 |
MOL004345 | 1-methyl-2-nonyl-4(1h)-quinolone | C39H67NO | 31.54 | 0.5 |
MOL002419 | Higenamine | C16H17NO3 | 82.54 | 0.21 |
MOL002894 | Berberrubine | C19H16ClNO4 | 35.74 | 0.73 |
MOL002897 | Epiberberine | C20H18NO4+ | 43.09 | 0.78 |
MOL002903 | (R)-Canadine | C20H21NO4 | 55.37 | 0.77 |
MOL002904 | Berlambine | C20H17NO5 | 36.68 | 0.82 |
MOL002907 | Corchoroside A_qt | C23H32O6 | 104.95 | 0.78 |
MOL000622 | Magnograndiolide | C15H22O4 | 63.71 | 0.19 |
MOL000762 | Palmidin A | C30H22O8 | 35.36 | 0.65 |
MOL000785 | Palmatine | C21H22NO4+ | 64.6 | 0.65 |
MOL001458 | Coptisine | C19H14NO4 | 30.67 | 0.86 |
MOL002668 | Worenine | C20H16NO4+ | 45.83 | 0.87 |
MOL008647 | Moupinamide | C18H19NO4 | 86.71 | 0.26 |
MOL002714 | Baicalein | C15H10O5 | 33.52 | 0.21 |
MOL002776 | Baicalin | C21H18O11 | 40.12 | 0.75 |
MOL000173 | Wogonin | C16H12O5 | 30.68 | 0.23 |
OB – oral bioavailability; DL – drug-likeness. |