01 July 2020>: Clinical Research
A Network Pharmacology Approach to Explore the Potential Mechanisms of Huangqin-Baishao Herb Pair in Treatment of Cancer
Tian Xu ABCEF , Qingguo Wang E , Min Liu AEG*DOI: 10.12659/MSM.923199
Med Sci Monit 2020; 26:e923199
Table 1 Detailed information on active ingredients in HQ-BS herb pair.
Mol ID | Molecule Name | Pubchem Cid | MW | OB (%) | DL | Herb |
---|---|---|---|---|---|---|
MOL001689 | Acacetin | 5280442 | 284.28 | 34.97 | 0.24 | Huangqin |
MOL000173 | Wogonin | 5281703 | 284.28 | 30.68 | 0.23 | Huangqin |
MOL000228 | (2R)-7-hydroxy-5-methoxy-2-phenylchroman-4-one | 821279 | 270.3 | 55.23 | 0.2 | Huangqin |
MOL002714 | Baicalein | 5281605 | 270.25 | 33.52 | 0.21 | Huangqin |
MOL002908 | 5,8,2′-Trihydroxy-7-methoxyflavone | 156992 | 300.28 | 37.01 | 0.27 | Huangqin |
MOL002909 | 5,7,2,5-tetrahydroxy-8,6-dimethoxyflavone | 44258628 | 376.34 | 33.82 | 0.45 | Huangqin |
MOL002910 | Carthamidin | 188308 | 288.27 | 41.15 | 0.24 | Huangqin |
MOL002911 | 2,6,2′,4′-tetrahydroxy-6′-methoxychaleone | N/A | 302.3 | 69.04 | 0.22 | Huangqin |
MOL002913 | Dihydrobaicalin_qt | 14135323 | 272.27 | 40.04 | 0.21 | Huangqin |
MOL002914 | Eriodyctiol (flavanone) | 373261 | 288.27 | 41.35 | 0.24 | Huangqin |
MOL002915 | Salvigenin | 161271 | 328.34 | 49.07 | 0.33 | Huangqin |
MOL002917 | 5,2′,6′-Trihydroxy-7,8-dimethoxyflavone | 5322059 | 330.31 | 45.05 | 0.33 | Huangqin |
MOL002925 | 5,7,2′,6′-Tetrahydroxyflavone | 5321865 | 286.25 | 37.01 | 0.24 | Huangqin |
MOL002926 | Dihydrooroxylin A | 5316733 | 286.3 | 38.72 | 0.23 | Huangqin |
MOL002927 | Skullcapflavone II | 124211 | 374.37 | 69.51 | 0.44 | Huangqin |
MOL002928 | Oroxylin a | 5320315 | 284.28 | 41.37 | 0.23 | Huangqin |
MOL002932 | Panicolin | 5320399 | 314.31 | 76.26 | 0.29 | Huangqin |
MOL002933 | 5,7,4′-Trihydroxy-8-methoxyflavone | 5322078 | 300.28 | 36.56 | 0.27 | Huangqin |
MOL002934 | Neobaicalein | 124211 | 374.37 | 104.34 | 0.44 | Huangqin |
MOL002937 | Dihydrooroxylin | 25721350 | 286.3 | 66.06 | 0.23 | Huangqin |
MOL000525 | Norwogonin | 5281674 | 270.25 | 39.4 | 0.21 | Huangqin |
MOL000552 | 5,2′-Dihydroxy-6,7,8-trimethoxyflavone | 159029 | 344.34 | 31.71 | 0.35 | Huangqin |
MOL000073 | Ent-Epicatechin | 182232 | 290.29 | 48.96 | 0.24 | Huangqin |
MOL000449 | Stigmasterol | 5280794 | 412.77 | 43.83 | 0.76 | Huangqin |
MOL001458 | Coptisine | 72322 | 320.34 | 30.67 | 0.86 | Huangqin |
MOL001490 | Bis[(2S)-2-ethylhexyl] benzene-1,2-dicarboxylate | 7057920 | 390.62 | 43.59 | 0.35 | Huangqin |
MOL001506 | Supraene | 638072 | 410.8 | 33.55 | 0.42 | Huangqin |
MOL002879 | Diop | 33934 | 390.62 | 43.59 | 0.39 | Huangqin |
MOL002897 | Epiberberine | 160876 | 336.39 | 43.09 | 0.78 | Huangqin |
MOL008206 | Moslosooflavone | 188316 | 298.31 | 44.09 | 0.25 | Huangqin |
MOL010415 | 11,13-Eicosadienoic acid, methyl ester | 5365674 | 322.59 | 39.28 | 0.23 | Huangqin |
MOL012245 | 5,7,4′-trihydroxy-6-methoxyflavanone | 26213330 | 302.3 | 36.63 | 0.27 | Huangqin |
MOL012246 | 5,7,4′-trihydroxy-8-methoxyflavanone | 42608119 | 302.3 | 74.24 | 0.26 | Huangqin |
MOL012266 | Rivularin | 13889022 | 344.34 | 37.94 | 0.37 | Huangqin |
MOL001910 | 11alpha,12alpha-epoxy-3beta-23-dihydroxy-30-norolean-20-en-28,12beta-olide | N/A | 470.71 | 64.77 | 0.38 | Baishao |
MOL001918 | Paeoniflorgenone | 70698143 | 318.35 | 87.59 | 0.37 | Baishao |
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 | 9841735 | 358.52 | 43.56 | 0.53 | Baishao |
MOL001921 | Lactiflorin | 14605198 | 462.49 | 49.12 | 0.8 | Baishao |
MOL001924 | Paeoniflorin | 442534 | 480.51 | 53.87 | 0.79 | Baishao |
MOL001925 | Paeoniflorin_qt | 11973336 | 318.35 | 68.18 | 0.4 | Baishao |
MOL001928 | Albiflorin_qt | 134761887 | 318.35 | 66.64 | 0.33 | Baishao |
MOL001930 | Benzoylpaeoniflorin | 21631106 | 584.62 | 31.27 | 0.75 | Baishao |
MOL000211 | Mairin | 64971 | 456.78 | 55.38 | 0.78 | Baishao |
MOL000422 | Kaempferol | 5280863 | 286.25 | 41.88 | 0.24 | Baishao |
MOL000492 | (+)-catechin | 9064 | 290.29 | 54.83 | 0.24 | Baishao |
MOL000358 | Beta-sitosterol | 222284 | 414.79 | 36.91 | 0.75 | Huangqin and Baishao |
MOL000359 | Sitosterol | 12303645 | 414.79 | 36.91 | 0.75 | Huangqin and Baishao |