Systematically Exploring the Antitumor Mechanisms of Core Chinese Herbs on Hepatocellular Carcinoma: A Computational Study
Table 3
Data of the top 30 bioactive compounds in CCHs (gene count ≥6).
Mol ID
Bioactive compounds
OB
DL
Genes
Database
MOL000098
Quercetin
46.43
0.28
58
TCMSP/BATMAN
MOL008407
Stigmasta-5,22-dien-3-one
45.40
0.76
33
TCMSP/TCMIP/BATMAN
MOL000006
Luteolin
36.16
0.25
31
TCMSP
MOL000173
Wogonin
30.68
0.23
26
TCMSP/TCMIP
MOL000422
Kaempferol
41.88
0.24
19
TCMSP/BATMAN
MOL000358
Beta-sitosterol
36.91
0.75
16
TCMSP/BATMAN
MOL002714
Baicalein
33.52
0.21
14
TCMSP
MOL000449
Stigmasterol
43.83
0.76
12
TCMSP/TCMIP/BATMAN
MOL002710
Pyrethrin II
48.36
0.35
12
TCMIP/BATMAN
MOL000392
Formononetin
69.67
0.21
10
TCMSP/BATMAN
MOL000492
(+)-Catechin
54.83
0.24
10
TCMSP/TCMIP/BATMAN
MOL001919
Palbinone
43.56
0.53
10
TCMSP/TCMIP/BATMAN
MOL000378
7-O-Methylisomucronulatol
74.69
0.30
9
TCMSP
MOL000417
Calycosin
47.75
0.24
9
TCMSP/BATMAN
MOL003896
7-Methoxy-2-methyl isoflavone
42.56
0.20
9
TCMSP
MOL004355
Spinasterol
42.98
0.76
9
TCMSP/BATMAN
MOL006554
Taraxerol
38.40
0.77
9
TCMSP/TCMIP/BATMAN
MOL008400
Glycitein
50.48
0.24
9
TCMSP/BATMAN
MOL012250
7-Hydroxy-5,8-dimethoxyflavone
43.72
0.25
9
TCMSP/TCMIP/BATMAN
MOL000300
Dehydroeburicoic acid
44.17
0.83
8
TCMIP/BATMAN
MOL000351
Rhamnazin
47.14
0.34
8
TCMSP
MOL000354
Isorhamnetin
49.60
0.31
8
TCMSP/BATMAN
MOL002588
Eburicol
42.37
0.77
8
BATMAN
MOL002910
Carthamidin
41.15
0.24
8
TCMIP/BATMAN
MOL002933
5,7,4′-Trihydroxy-8-methoxyflavone
36.56
0.27
8
TCMIP/BATMAN
MOL004644
Sainfuran
79.91
0.23
8
BATMAN
MOL008206
Moslosooflavone
44.09
0.25
7
TCMSP
MOL000275
Trametenolic acid
38.71
0.80
6
TCMSP/TCMIP
MOL000280
Dehydrotumulosic acid
31.07
0.82
6
TCMIP
MOL012266
Rivularin
37.94
0.37
6
TCMSP/TCMIP
DL: drug-likeness; OB: oral bioavailability; TCMSP: Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform; TCMIP: Integrative Pharmacology-Based Research Platform of TCM; BATMAN: Bioinformatics Analysis Tool for Molecular Mechanism of TCM.
