Table 3. Predicted ADME Properties of flavonoids.

Sl.No	Ligand	HIA	BBB Permeate	P-gp Substrate	CYP1A2 inhibitor	CYP2C19 inhibitor	CYP2C9 inhibitor	CYP2D6 inhibitor	CYP3A4 inhibitor	Log Kp (Skin permeation cm/s)
1	Petunidin	High	No	Yes	Yes	No	No	No	No	-6.88 cm/s
2	Peonidin	High	No	Yes	Yes	No	No	No	No	-6.53 cm/s
3	Pelargonidin	High	No	Yes	Yes	No	No	Yes	No	-6.33 cm/s
4	Malvidin	High	No	Yes	Yes	No	No	No	No	-6.73 cm/s
5	Delphinidin	High	No	Yes	No	No	No	No	No	-7.50 cm/s
6	Cyanidin	High	No	Yes	Yes	No	No	No	No	-7.51 cm/s
7	Tangeritin	High	Yes	No	No	No	Yes	No	Yes	-6.41 cm/s
8	Luteolin	High	No	No	Yes	No	No	Yes	Yes	-6.25 cm/s
9	Baicalein	High	No	No	Yes	No	No	Yes	Yes	-5.70 cm/s
10	Apigenin	High	No	No	Yes	No	No	Yes	Yes	-5.80 cm/s
11	Phloridzin	Low	No	Yes	No	No	No	No	No	-8.58 cm/s
12	Phloretin	High	No	No	Yes	No	Yes	No	Yes	-6.11 cm/s
13	Chalcone	High	Yes	No	No	Yes	No	No	No	-5.38 cm/s
14	Chalconaringenin	High	No	No	Yes	No	Yes	NO	Yes	-5.96 cm/s
15	Arbutin	High	No	No	No	No	No	No	No	-8.92 cm/s
16	Epicatechin gallate	Low	No	No	No	No	No	No	No	-8.27 cm/s
17	Gallocatechin	High	No	No	No	No	No	No	No	-8.17 cm/s
18	Catechin	High	No	Yes	No	No	No	No	No	-7.82 cm/s
19	Taxifolin	High	No	No	No	No	No	No	No	-7.48 cm/s
20	Rutin	Low	No	Yes	No	No	No	No	No	-10.2 cm/s
21	Quercitrin	Low	No	No	No	No	No	No	No	-8.42 cm/s
22	Quercetin	High	No	No	Yes	No	No	Yes	Yes	-7.05 cm/s
23	Kaempferol	High	No	No	Yes	No	No	Yes	Yes	-6.70 cm/s
24	Isoharmnetin	High	No	No	Yes	No	No	Yes	Yes	-6.90 cm/s
25	Fisetin	High	No	No	Yes	No	No	Yes	Yes	-6.65 cm/s
26	Naringenin	High	No	No	Yes	No	Yes	No	Yes	-5.96 cm/s
27	Hesperidin	Low	No	Yes	No	No	No	No	No	-10.12 cm/s
28	Hesperetin	High	No	Yes	Yes	No	No	No	Yes	-6.30 cm/s
29	Eriodictyol	High	No	Yes	No	No	No	No	Yes	-6.62 cm/s
30	Sterubin	High	No	Yes	Yes	No	No	No	Yes	-6.48 cm/s
31	Glycitein	High	No	No	Yes	No	No	Yes	Yes	-6.30 cm/s
32	Genistin	Low	No	No	No	No	No	No	No	-8.33 cm/s
33	Formononetin	High	Yes	No	Yes	No	No	Yes	Yes	-5.95 cm/s
34	Daidzin	High	Yes	No	Yes	No	No	Yes	Yes	-6.10 cm/s
35	Biochainin A	High	No	No	Yes	No	No	Yes	Yes	-5.91 cm/s
36	Donepezil	High	Yes	Yes	No	No	No	Yes	Yes	-5.58 cm/s