acompound

Showing entry for 4-(2,4-Dimethylpent-3-En-2-Yl)-1,6,7-Trihydroxy-3-Methylxanthen-9-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045005
Compound Name	4-(2,4-Dimethylpent-3-En-2-Yl)-1,6,7-Trihydroxy-3-Methylxanthen-9-One
Structure
Formula	C21H22O5
InchiKey	BFCORSRKGHOBIS-UHFFFAOYSA-N
SMILES	CC(=CC(c1c(C)cc(c2c1oc1cc(O)c(cc1c2=O)O)O)(C)C)C
Inchi	InChI=1S/C21H22O5/c1-10(2)9-21(4,5)18-11(3)6-15(24)17-19(25)12-7-13(22)14(23)8-16(12)26-20(17)18/h6-9,22-24H,1-5H3
IUPAC	4-(2,4-dimethylpent-3-en-2-yl)-1,6,7-trihydroxy-3-methylxanthen-9-one
Molecular Weight	354.15
Pubchem Id	44419437
Chembl Id	CHEMBL218383

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	BXGT005162	Sterol O-acyltransferase 2	reviewed	Enzyme	SOAT2	-	41600	-	-
reviewed	BXGT009855	Sterol O-acyltransferase 1	reviewed	Enzyme	SOAT1	-	89600	-	-

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
O75908	BXGT005162	Sterol O-acyltransferase 2	reviewed	Enzyme	SOAT2	IC50	'='	41600	nM
P35610	BXGT009855	Sterol O-acyltransferase 1	reviewed	Enzyme	SOAT1	IC50	'='	89600	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04967	Cudrania tricuspidata	Cudrania tricuspidata	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}