Mechanisms and Molecular Targets of the Tao-Hong-Si-Wu-Tang Formula for Treatment of Osteonecrosis of Femoral Head: A Network Pharmacology Study

Table 1

The list of active compounds in the THSWT formula.

Chinese name	Latin name	Species	Family	TCMSP ID	Chemical compounds	Oral bioavailability (%)	Drug-likeness
Bai-Shao	Paeoniae Radix Alba	Paeonia lactiflora Pall	Ranunculaceae	MOL000211	Mairin	55.38	0.78
				MOL000358	β-sitosterol	36.91	0.75
				MOL001359	Sitosterol	36.91	0.75
				MOL000422	Kaempferol	41.88	0.24
				MOL000492	(+)-catechin	54.83	0.24
				MOL001910	11α, 12α-epoxy-3β-23-dihydroxy-30-norole-an-20-en-28, 12β-olide	64.77	0.38
				MOL001918	Paeoniflorgenone	87.59	0.37
				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	43.56	0.53
				MOL001921	Lactiflorin	49.12	0.80
				MOL001924	Paeoniflorin	53.87	0.79
				MOL001925	paeoniflorin_qt	68.18	0.40
				MOL001928	albiflorin_qt	66.64	0.33
				MOL001930	Benzoyl paeoniflorin	31.27	0.75
Dang-Gui	Angelicae Sinensis Radix	Angelica sinensis (Oliv.) Diels	Apiaceae	MOL000358	β-sitosterol	36.91	0.75
				MOL000449	Stigmasterol	43.83	0.76
Tao-Ren	Persicae Semen	Prunus persica (L.) Batsch	Rosaceae	MOL000358	β-sitosterol	36.91	0.75
				MOL001323	Sitosterol alpha1	43.28	0.78
				MOL001328	2,3-didehydro GA70	63.29	0.50
				MOL001329	2,3-didehydro GA77	88.08	0.53
				MOL001339	GA119	76.36	0.49
				MOL001340	GA120	84.85	0.45
				MOL001342	GA121-isolactone	72.70	0.54
				MOL001343	GA122	64.79	0.50
				MOL001344	GA122-isolactone	88.11	0.54
				MOL001348	Gibberellin 17	94.64	0.49
				MOL001349	4a-formyl-7alpha-hydroxy-1-methyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid	88.60	0.46
				MOL001350	GA30	61.72	0.54
				MOL001351	Gibberellin A44	101.61	0.54
				MOL001352	GA54	64.21	0.53
				MOL001353	GA60	93.17	0.53
				MOL001355	GA63	65.54	0.54
				MOL001358	Gibberellin 7	73.80	0.50
				MOL001360	GA77	87.89	0.53
				MOL001361	GA87	68.85	0.57
				MOL001368	3-O-p-coumaroylquinic acid	37.63	0.29
				MOL001371	Populoside_qt	108.89	0.20
				MOL000296	Hederagenin	36.91	0.75
				MOL000493	Campesterol	37.58	0.71
Shu-Di-Huang	Rehmanniae Radix Praeparata	Rehmannia glutinosa Libosch	Scrophulariaceae	MOL001359	Sitosterol	36.91	0.75
				MOL000449	Stigmasterol	43.83	0.76
Chuang-Xiong	Chuanxiong Rhizoma	Ligusticum chuanxiong Hort	Apiaceae	MOL001359	Sitosterol	36.91	0.75
				MOL000433	Folic acid	68.96	0.71
				MOL001494	Mandenol	42.00	0.19
				MOL002135	Myricanone	40.60	0.51
				MOL002140	Perlolyrine	65.95	0.27
				MOL002151	Senkyunone	47.66	0.24
				MOL002157	Wallichilide	42.31	0.71
Hong-Hua	Carthami Flos	Carthamus tinctorius L.	Compositae	MOL000358	β-sitosterol	36.91	0.75
				MOL000449	Stigmasterol	43.83	0.76
				MOL000422	Kaempferol	41.88	0.24
				MOL001771	Poriferast-5-en-3beta-ol	36.91	0.75
				MOL002694	4-[(E)-4-(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene) but-2-enylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one	48.47	0.36
				MOL002680	Flavoxanthin	60.41	0.56
				MOL002695	Lignan	43.32	0.65
				MOL002698	Lupeol-palmitate	33.98	0.32
				MOL002706	Phytoene	39.56	0.50
				MOL002707	Phytofluene	43.18	0.50
				MOL002710	Pyrethrin II	48.36	0.35
				MOL002712	6-Hydroxykaempferol	62.13	0.27
				MOL002714	Baicalein	33.52	0.21
				MOL002717	qt_carthamone	51.03	0.20
				MOL002719	6-Hydroxynaringenin	33.23	0.24
				MOL002721	Quercetagetin	45.01	0.31
				MOL002757	7,8-dimethyl-1H-pyrimido[5,6-g]quinoxaline-2,4-dione	45.75	0.19
				MOL002773	Beta-carotene	37.18	0.58
				MOL002776	Baicalin	40.12	0.75
				MOL000006	Luteolin	36.16	0.25
				MOL000953	CLR	37.87	0.68
				MOL000098	Quercetin	46.43	0.28