Table 3.

The docking results of 18 key bioactive compounds of GF to AKT1 protein, compared with endogenous ligand (inositol-1,3,4,5-Tetrakisphosphate) of AKT1

Compound	Formula	CAS number	Binding energy (kcal/mol)	Binding-site number
Inositol-1,3,4,5-Tetrakisphosphate	C${}_6$H1${}_6$O${}_{18}$P${}_4$	102850-29-3	$-$6.5	21
Luteolin-4’-glucoside	C${}_{21}$H${}_{20}$O${}_{11}$	6920-38-3	$-$6.7	9
Sesamin	C${}_{20}$H${}_{18}$O${}_6$	607-80-7	$-$6.7	6
Quercetin	C${}_{15}$H${}_{10}$O${}_7$	117-39-5	$-$5.9	5
Luteolin	C${}_{15}$H${}_{10}$O${}_6$	491-70-3	$-$5.8	7
Chryseriol	C${}_{16}$H${}_{12}$O${}_6$	491-71-4	$-$5.8	6
Isorhamnetin	C${}_{16}$H${}_{12}$O${}_7$	480-19-3	$-$5.8	6
Diosmetin	C${}_{16}$H${}_{12}$O${}_6$	520-34-3	$-$5.8	5
Laricitrin	C${}_{16}$H${}_{12}$O${}_8$	53472-37-0	$-$5.7	7
Kaempferol	C${}_{15}$H${}_{10}$O${}_6$	520-18-3	$-$5.6	4
Syringetin	C${}_{17}$H${}_{14}$O${}_8$	4423-37-4	$-$5.5	6
Genkwanin	C${}_{16}$H${}_{12}$O${}_5$	437-64-9	$-$5.5	4
Stigmasterol	C${}_{29}$H${}_{48}$O	83-48-7	$-$5.5	3
Campesterol	C${}_{28}$H${}_{48}$O	474-62-4	$-$5.3	3
$\beta$-sitosterol	C${}_{30}$H${}_{52}$O	64997-52-0	$-$5.2	2
Bis (2-ethylhexyl) phthalate	C${}_{24}$H${}_{38}$O${}_4$	117-81-7	$-$4.3	6
Linolenic acid ethyl ester	C${}_{20}$H${}_{34}$O${}_2$	1191-41-9	$-$3.8	3
Ethyl linoleate	C${}_{20}$H${}_{36}$O${}_2$	544-35-4	$-$3.5	2
Ethyl oleate	C${}_{20}$H${}_{38}$O${}_2$	111-62-6	$-$3.7	5