acompound

Showing entry for 4-Hydroxysaprothoquinone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032970
Compound Name	4-Hydroxysaprothoquinone
Structure
Formula	C20H26O3
InchiKey	QJYXXTULLNTAEX-UHFFFAOYSA-N
SMILES	CC(C1=Cc2ccc(c(c2C(=O)C1=O)CCCC(O)(C)C)C)C
Inchi	InChI=1S/C20H26O3/c1-12(2)16-11-14-9-8-13(3)15(7-6-10-20(4,5)23)17(14)19(22)18(16)21/h8-9,11-12,23H,6-7,10H2,1-5H3
IUPAC	8-(4-hydroxy-4-methylpentyl)-7-methyl-3-propan-2-ylnaphthalene-1,2-dione
Molecular Weight	314.19
Pubchem Id	5325817
Chembl Id	CHEMBL453303

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	BXGT012779	DNA topoisomerase 1	reviewed		Top1	-	800	-	-

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
Q04750	BXGT012779	DNA topoisomerase 1	reviewed	-	Top1	IC50	'='	800	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00001	Angelica	Angelica keiskei	Herbs and Spices
BXGF02889	Salvia prionitis	Salvia prionitis	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}