[Retracted] Exploring the Mechanism of Wenshen Huatan Quyu Decotion for PCOS Based on Network Pharmacology and Molecular Docking Verification

Table 1

Information for chemical ingredients of WHQD.

Mol. ID	Drug	Molecule name	OB%	DL
MOL000211	A1	Mairin	55.38	0.78
MOL000354	A2	Isorhamnetin	49.6	0.31
MOL000953	A3	CLR	37.87	0.68
MOL005440	A4	Isofucosterol	43.78	0.76
MOL000098	C1	Quercetin	46.43	0.28
MOL000422	C2	Kaempferol	41.88	0.24
MOL000359	D1	Sitosterol	36.91	0.75
MOL000449	D2	Stigmasterol	43.83	0.76
MOL000358	F1	Beta-sitosterol	36.91	0.75
MOL001749	BM1	ZINC03860434	43.59	0.35
MOL009589	BM10	Korseverinine	53.51	0.71
MOL009593	BM11	Verticinone	60.07	0.67
MOL009596	BM12	Sinpemine A	46.96	0.71
MOL004440	BM4	Peimisine	57.4	0.81
MOL009027	BM5	Cyclopamine	55.42	0.82
MOL009586	BM8	Isoverticine	48.23	0.67
MOL009588	BM9	Korseveriline	35.16	0.68
MOL001918	BS1	Paeoniflorgenone	87.59	0.37
MOL000492	BS6	(+)-Catechin	54.83	0.24
MOL001924	BS7	Paeoniflorin	53.87	0.79
MOL001919	BS9	(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
MOL000263	DNX3	Oleanolic acid	29.02	0.76
MOL001771	HH1	Poriferast-5-en-3beta-ol	36.91	0.75
MOL002714	HH10	Baicalein	33.52	0.21
MOL002717	HH11	qt_carthamone	51.03	0.2
MOL002721	HH13	Quercetagetin	45.01	0.31
MOL002757	HH14	7,8-Dimethyl-1H-pyrimido[5,6-g]quinoxaline-2,4-dione	45.75	0.19
MOL002773	HH15	Beta-carotene	37.18	0.58
MOL002694	HH3	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
MOL002695	HH4	Lignan	43.32	0.65
MOL002710	HH8	Pyrethrin II	48.36	0.35
MOL002712	HH9	6-Hydroxykaempferol	62.13	0.27
MOL000380	HQ10	(6aR,11aR)-9,10-Dimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol	64.26	0.42
MOL000387	HQ11	Bifendate	31.1	0.67
MOL000392	HQ12	Formononetin	69.67	0.21
MOL000417	HQ14	Calycosin	47.75	0.24
MOL000433	HQ16	FA	68.96	0.71
MOL000439	HQ18	Isomucronulatol-7,2-di-O-glucosiole	49.28	0.62
MOL000442	HQ19	1,7-Dihydroxy-3,9-dimethoxy pterocarpene	39.05	0.48
MOL000239	HQ2	Jaranol	50.83	0.29
MOL000296	HQ3	Hederagenin	36.91	0.75
MOL000033	HQ4	(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R,5S)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol	36.23	0.78
MOL000371	HQ6	3,9-Di-O-methylnissolin	53.74	0.48
MOL000378	HQ8	7-O-Methylisomucronulatol	74.69	0.3
MOL000379	HQ9	9,10-Dimethoxypterocarpan-3-O-β-D-glucoside	36.74	0.92
MOL001559	HSY1	Piperlonguminine	30.71	0.18
MOL005438	HSY10	Campesterol	37.58	0.71
MOL005435	HSY11	24-Methylcholest-5-enyl-3belta-O-glucopyranoside_qt	37.58	0.72
MOL005465	HSY14	AIDS180907	45.33	0.77
MOL000546	HSY15	Diosgenin	80.88	0.81
MOL001736	HSY3	(-)-Taxifolin	60.51	0.27
MOL000322	HSY5	Kadsurenone	54.72	0.38
MOL005430	HSY7	Hancinone C	59.05	0.39
MOL005320	RCR2	Arachidonate	45.57	0.2
MOL005384	RCR3	Suchilactone	57.52	0.56
MOL008871	RCR6	Marckine	37.05	0.69
MOL003542	SCP1	8-Isopentenyl-kaempferol	38.04	0.39
MOL003576	SCP2	(1R,3aS,4R,6aS)-1,4-bis(3,4-Dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan	52.35	0.62
MOL003578	SCP3	Cycloartenol	38.69	0.78
MOL001494	SZY1	Mandenol	42	0.19
MOL005481	SZY11	2,6,10,14,18-Pentamethylicosa-2,6,10,14,18-pentaene	33.4	0.24
MOL005503	SZY14	Cornudentanone	39.66	0.33
MOL005530	SZY15	Hydroxygenkwanin	36.47	0.27
MOL001495	SZY2	Ethyl linolenate	46.1	0.2
MOL001771	SZY3	Poriferast-5-en-3beta-ol	36.91	0.75
MOL002879	SZY4	Diop	43.59	0.39
MOL002883	SZY5	Ethyl oleate (NF)	32.4	0.19
MOL003137	SZY6	Leucanthoside	32.12	0.78
MOL001323	TR1	Sitosterol alpha1	43.28	0.78
MOL001349	TR10	4a-Formyl-7alpha-hydroxy-1-methyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid	88.6	0.46
MOL001351	TR12	Gibberellin A44	101.61	0.54
MOL001352	TR13	GA54	64.21	0.53
MOL001353	TR14	GA60	93.17	0.53
MOL001355	TR15	GA63	65.54	0.54
MOL001328	TR2	2,3-Didehydro GA70	63.29	0.5
MOL001329	TR3	2,3-Didehydro GA77	88.08	0.53
MOL001339	TR4	GA119	76.36	0.49
MOL001340	TR5	GA120	84.85	0.45
MOL001342	TR6	GA121-isolactone	72.7	0.54
MOL001344	TR8	GA122-isolactone	88.11	0.54
MOL001558	TSZ1	Sesamin	56.55	0.83
MOL000184	TSZ2	NSC63551	39.25	0.76
MOL005043	TSZ6	Campest-5-en-3beta-ol	37.58	0.71
MOL005944	TSZ8	Matrine	63.77	0.25

NB: A1 = MOL000211, shared by Paeonia lactiflora (BS) and Astragalus membranaceus (HQ). A2 = MOL000354, shared by Cuscuta chinensis Lam (TSZ) and Astragalus membranaceus (HQ). A3 = MOL000953, shared by Cuscuta chinensis Lam (TSZ) and Chinese Yam (HSY). A4 = MOL005440, shared by Cuscuta chinensis Lam (TSZ) and Chinese Yam (HSY). C1 = MOL000098, shared by Cuscuta chinensis Lam (TSZ), Cistanche deserticola Ma (RCR), and Astragalus membranaceus (HQ). C2 = MOL000422, shared by Cuscuta chinensis Lam (TSZ), Shi Calamus (SCP), and Paeonia lactiflora (BS). D1 = MOL000359, shared by Fritillaria cirrhosa (BM), Rehmannia root (SDH), Cornus officinalis (SZY), and Paeonia lactiflora (BS). D2 = MOL000449, shared by Chinese Yam (HSY), Rehmannia root (SDH), Cornus officinalis (SZY), and Angelica sinensis (DG). F1 = MOL000358, shared by Fritillaria cirrhosa (BM), Paeonia lactiflora (BS), Cistanche deserticola Ma (RCR), Cuscuta chinensis Lam (TSZ), Cornus officinalis (SZY), and Angelica sinensis (DG).