[Retracted] Two Myricetin-Derived Flavonols from Morella rubra Leaves as Potent α-Glucosidase Inhibitors and Structure-Activity Relationship Study by Computational Chemistry

Table 3

Predicted activities of flavonols in the training set and test set by CoMFA and CoMSIA.

No.	Flavonols	IC50 (μM)	pIC50	CoMFA		CoMSIA
				Pred-pIC50	Pred-IC50 (μM)	Pred-pIC50	Pred-IC50 (μM)
1	Myricetin-3-O-rhamnoside	776.93	3.110	3.111	774.46	3.163	687.07
2	Myricetin-3-O-(2-O-galloyl)-α-L-rhamnoside	1.32	5.879	5.878	1.32	5.873	1.34
3	Myricetin-3-O-(4-O-galloyl)-α-L-rhamnoside	1.77	5.752	5.753	1.77	5.764	1.72
4	Quercetin-3-O-galactoside	1148.19	2.940	2.943	1140.25	2.851	1409.29
5	Quercetin-3-O-glucoside	1195.95	2.922	2.923	1193.99	2.867	1358.31
6	Quercetin-3-O-rhamnoside	1038.97	2.983	2.984	1037.53	3.078	835.60
7	Myricetin-3-O-galactoside	1161.09	2.935	2.933	1166.81	2.957	1104.08
8	Quercetin-3-α-L-arabinofuranoside	419.60	3.377	3.376	420.73	3.401	397.19
10	Quercetin-3-O-glucuronide	>2000	2.666	2.667	2152.78	2.655	2213.09
12	Quercetin-3-O-rutinoside	>2000	2.280	2.281	5236.00	2.284	5199.96
13	Quercetin-3-O-gentiobioside	>2000	2.207	2.206	6223.00	2.183	6561.45
14	Kaempferol-3-O-rhamnoside	549.22	3.260	3.26	549.54	3.235	582.10
16	Kaempferol-3-O-glucoside	1074.57	2.969	2.969	1073.99	2.932	1169.50
18	Kaempferol-3,7-dirhamnoside	>2000	2.097	2.097	7998.34	2.112	7726.81
19	Isorhamnetin-3-O-glucoside	>2000	2.489	2.485	3273.41	2.522	3006.08
20	Isorhamnetin-3-O-rutinoside	>2000	2.097	2.097	7998.34	2.115	7673.61
21	Myricetin	15.61	4.807	4.806	15.63	4.833	14.69
22	Quercetin	35.39	4.451	4.452	35.32	4.385	41.21
23	Kaempferol	71.00	4.149	4.144	71.78	4.092	80.91
24	Fisetin	86.34	4.064	4.065	86.10	4.119	76.03
25	Herbacetin	123.12	3.910	3.914	121.90	3.922	119.67
9	Quercetin-3-α-L-arabinopyranoside	598.96	3.223	3.422	378.44	3.580	263.03
11	Quercetin-3-O-robinobioside	>2000	2.428	2.281	5236.00	2.284	5199.96
15	Kaempferol-3-O-galactoside	837.83	3.077	3.138	727.78	2.951	1119.44
17	Kaempferol-3-O-rutinoside	>2000	2.114	2.367	4295.36	2.308	4920.40
26	Isorhamnetin	319.54	3.495	4.092	80.91	3.959	109.90

Test set.