A New Strategy to Uncover the Anticancer Mechanism of Chinese Compound Formula by Integrating Systems Pharmacology and Bioinformatics

Table 4

Anticancer active ingredients, oral bioavailability (OB), and drug-likeness (DL) of HJD.

Name	Active Ingredient	Chemical Structure	OB/%	DL
Huanglian	(R)-Canadine		55.37	0.77
	berberine		36.86	0.78
	berberrubine		35.74	0.73
	Berlambine		36.68	0.82
	coptisine		30.67	0.86
	epiberberine		43.09	0.78
	palmatine		64.6	0.65
	quercetin		46.43	0.28
	Worenine		45.83	0.87
Huangqin	(2R)-7-hydroxy-5-methoxy-2-phenylchroman-4-one		55.23	0.2
	5,2′,6′-Trihydroxy-7,8-dimethoxyflavone		45.05	0.33
	5,2′-Dihydroxy-6,7,8-trimethoxyflavone		31.71	0.35
	5,7,2,5-tetrahydroxy-8,6-dimethoxyflavone		33.82	0.45
	5,7,2′,6′-Tetrahydroxyflavone		37.01	0.24
	5,7,4′-trihydroxy-6-methoxyflavanone		36.63	0.27
	5,7,4′-trihydroxy-8-methoxyflavanone		74.24	0.26
	5,7,4′-Trihydroxy-8-methoxyflavone		36.56	0.27
	acacetin		34.97	0.24
	baicalein		33.52	0.21
	beta-sitosterol		36.91	0.75
	Carthamidin		41.15	0.24
	Dihydrobaicalin_qt		40.04	0.21
	Dihydrooroxylin		66.06	0.23
	ent-Epicatechin		48.96	0.24
	Eriodyctiol (flavanone)		41.35	0.24
	Moslosooflavone		44.09	0.25
	NEOBAICALEIN		104.34	0.44
	Norwogonin		39.4	0.21
	oroxylin a		41.37	0.23
	Panicolin		76.26	0.29
	rivularin		37.94	0.37
	Salvigenin		49.07	0.33
	sitosterol		36.91	0.75
	Skullcapflavone II		69.51	0.44
	Stigmasterol		43.83	0.76
	wogonin		30.68	0.23
Huangbo	(S)-Canadine		53.83	0.77
	campesterol		37.58	0.71
	Cavidine		35.64	0.81
	Chelerythrine		34.18	0.78
	Dehydrotanshinone II A		43.76	0.4
	delta 7-stigmastenol		37.42	0.75
	Fumarine		59.26	0.83
	Hericenone H		39	0.63
	Isocorypalmine		35.77	0.59
	phellamurin_qt		56.6	0.39
	Phellavin_qt		35.86	0.44
	Phellopterin		40.19	0.28
	poriferast-5-en-3beta-ol		36.91	0.75
	rutaecarpine		40.3	0.6
	Skimmianin		40.14	0.2
	thalifendine		44.41	0.73
Zhizi	3-Methylkempferol		32.03	0.76
	5-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl) chromone		34.55	0.22
	Ammidin		84.07	0.59
	crocetin		36.91	0.75
	isoimperatorin		42	0.19
	kaempferol		33.55	0.42
	Mandenol		45.46	0.23
	Sudan III		60.16	0.26