acompound

Showing entry for [(1R)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] Pentanoate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0046521
Compound Name	[(1R)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] Pentanoate
Structure
Formula	C21H24O6
InchiKey	WSSQXKWKYRUWBU-QGZVFWFLSA-N
SMILES	CCCCC(=O)O[C@@H](C1=CC(=O)c2c(C1=O)c(O)ccc2O)CC=C(C)C
Inchi	InChI=1S/C21H24O6/c1-4-5-6-18(25)27-17(10-7-12(2)3)13-11-16(24)19-14(22)8-9-15(23)20(19)21(13)26/h7-9,11,17,22-23H,4-6,10H2,1-3H3/t17-/m1/s1
IUPAC
Molecular Weight	372.16
Pubchem Id	10451907
Chembl Id	CHEMBL9499

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

n.a

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

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
P35610	BXGT009855	Sterol O-acyltransferase 1	reviewed	Enzyme	SOAT1	IC50	'='	94800	nM
O75908	BXGT005162	Sterol O-acyltransferase 2	reviewed	Enzyme	SOAT2	IC50	'='	84500	nM
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	IC50	'='	161000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	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}