acompound

Showing entry for Icaritin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036504
Compound Name	Icaritin
Structure
Formula	C21H20O6
InchiKey	TUUXBSASAQJECY-UHFFFAOYSA-N
SMILES	COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O)cc(c2c(=O)c1O)O
Inchi	InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
IUPAC	3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Molecular Weight	368.13
Pubchem Id	5318980
Chembl Id	CHEMBL498485

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT005174	cGMP-specific 3',5'-cyclic phosphodiesterase	reviewed		PDE5A	-	2200	-	-

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Inhibition	'='	41	%
O76074	BXGT005174	cGMP-specific 3',5'-cyclic phosphodiesterase	reviewed	-	PDE5A	IC50	'='	2200	nM
P51160	BXGT010840	Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'	reviewed	-	PDE6C	Activity	-	-	-
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Activity	'='	94	%
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Activity	'='	97	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01031	Epimedium sagittatum	Epimedium sagittatum	Medicinal Plant
BXGF01609	Epimedium sempervirens	Epimedium sempervirens	Others
BXGF02370	Epimedium pubescens	Epimedium pubescens	Medicinal Plant
BXGF02881	Epimedium grandiflorum	Epimedium grandiflorum	Medicinal Plant
BXGF03583	Epimedium koreanum	Epimedium koreanum	Medicinal Plant
BXGF04165	Epimedium davidii	Epimedium davidii	Medicinal Plant
BXGF05370	Epimedium brevicornu	Epimedium brevicornu	Others
BXGF06161	Epimedium wushanense	Epimedium wushanense	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}