. 2021 May 28;2021:9941791. doi: 10.1155/2021/9941791

Table 1.

Detailed information of the 86 active compounds from YQHXTLF.

Mol Id	Mol name	OB (%)	DL
MOL000358	Beta-sitosterol	36.91	0.75
MOL000449	Stigmasterol	43.83	0.76
MOL000392	Formononetin	69.67	0.21
MOL002959	3′-Methoxydaidzein	48.57	0.24
MOL003629	Daidzein-4,7-diglucoside	47.27	0.67
MOL000211	Mairin	55.38	0.78
MOL000239	Jaranol	50.83	0.29
MOL000296	Hederagenin	36.91	0.75
MOL000033	(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
MOL000354	Isorhamnetin	49.6	0.31
MOL000371	3,9-Di-O-methylnissolin	53.74	0.48
MOL000378	7-O-Methylisomucronulatol	74.69	0.3
MOL000379	9,10-Dimethoxypterocarpane -3-O-β-D-glucoside	36.74	0.92
MOL000380	(6aR,11aR)-9,10-Dimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol	64.26	0.42
MOL000387	Bifendate	31.1	0.67
MOL000417	Calycosin	47.75	0.24
MOL000422	Kaempferol	41.88	0.24
MOL000433	FA	68.96	0.71
MOL000439	Isomucronulatol-7,2′-di-O-glucosiole	49.28	0.62
MOL000442	1,7-Dihydroxy-3,9-dimethoxy pterocarpene	39.05	0.48
MOL000098	Quercetin	46.43	0.28
MOL000461	3,7-Dihydroxy-6-methoxy-dihydroflavonol	43.8	0.26
MOL000468	8-O-Methylreyusin	70.32	0.27
MOL000469	3-Hydroxystigmast-5-en-7-one	40.93	0.78
MOL000470	8-C-α-L-Arabinosylluteolin	35.54	0.66
MOL000471	Aloe-emodin	83.38	0.24
MOL000483	(Z)-3-(4-Hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide	118.35	0.26
MOL000490	Petunidin	30.05	0.31
MOL000492	(+)-Catechin	54.83	0.24
MOL000493	Campesterol	37.58	0.71
MOL000497	Licochalcone a	40.79	0.29
MOL000500	Vestitol	74.66	0.21
MOL000501	Consume close grain	68.12	0.27
MOL000502	Cajinin	68.8	0.27
MOL000503	Medicagol	57.49	0.6
MOL000506	Lupinidine	61.89	0.21
MOL000507	Psi-baptigenin	70.12	0.31
MOL000006	Luteolin	36.16	0.25
MOL000359	Sitosterol	36.91	0.75
MOL005603	Diheptyl phthalate	42.26	0.31
MOL001454	Berberine	36.86	0.78
MOL001458	Coptisine	30.67	0.86
MOL001460	Cryptopine	78.74	0.72
MOL001461	Dihydrochelerythrine	32.73	0.81
MOL001463	Dihydrosanguinarine	59.31	0.86
MOL001474	Sanguinarine	37.81	0.86
MOL000217	(S)-Scoulerine	32.28	0.54
MOL002670	Cavidine	35.64	0.81
MOL002903	(R)-Canadine	55.37	0.77
MOL004071	Hyndarine	36.91	0.75
MOL004190	(-)-Alpha-N-methylcanadine	73.94	0.64
MOL004191	Capaurine	45.06	0.8
MOL004193	Clarkeanidine	62.91	0.69
MOL004195	CORYDALINE	86.65	0.54
MOL004196	Corydalmine	65.84	0.68
MOL004197	Corydine	52.5	0.59
MOL004198	18797-79-0	37.16	0.55
MOL004199	Corynoloxine	46.06	0.85
MOL004200	Methyl-[2-(3,4,6,7-tetramethoxy-1-phenanthryl)ethyl]amine	38.12	0.6
MOL004202	Dehydrocavidine	61.15	0.44
MOL004203	Dehydrocorybulbine	38.99	0.81
MOL004204	Dehydrocorydaline	46.97	0.63
MOL004205	Dehydrocorydalmine	41.98	0.68
MOL004208	Demethylcorydalmatine	43.9	0.59
MOL004209	13-Methyldehydrocorydalmine	38.99	0.54
MOL004210	(1S,8′R)-6,7-Dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7′-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8′-ol	35.94	0.63
MOL004763	Izoteolin	43.95	0.72
MOL004214	Isocorybulbine	39.53	0.51
MOL004215	Leonticine	40.18	0.66
MOL004216	13-Methylpalmatrubine	45.79	0.26
MOL004220	N-Methyllaurotetanine	40.97	0.63
MOL004221	Norglaucing	41.62	0.56
MOL004224	Pontevedrine	30.35	0.56
MOL004225	Pseudocoptisine	30.28	0.71
MOL004226	24240-05-9	38.97	0.86
MOL004228	Saulatine	53.75	0.83
MOL004230	Stylopine	42.74	0.79
MOL004231	Tetrahydrocorysamine	48.25	0.85
MOL004232	Tetrahydroprotopapaverine	34.17	0.86
MOL004233	ST057701	36.86	0.78
MOL004234	2,3,9,10-Tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one	30.67	0.86
MOL000785	Palmatine	78.74	0.72
MOL000787	Fumarine	32.73	0.81
MOL000790	Isocorypalmine	59.31	0.86
MOL000791	Bicuculline	37.81	0.86
MOL000793	C09367	32.28	0.54

Mol Id: molecule Id; Mol name: molecule name; OB: oral bioavailability; DL: drug-like.