acompound

Showing entry for 7-Hydroxy Aristolochic A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0052675
Compound Name	7-Hydroxy Aristolochic A
Structure
Formula	C17H11NO8
InchiKey	UCLGCTLOEZZSLA-UHFFFAOYSA-N
SMILES	COc1c(O)ccc2c1cc(N(=O)=O)c1c2c2OCOc2cc1C(=O)O
Inchi	InChI=1S/C17H11NO8/c1-24-15-8-4-10(18(22)23)13-9(17(20)21)5-12-16(26-6-25-12)14(13)7(8)2-3-11(15)19/h2-5,19H,6H2,1H3,(H,20,21)
IUPAC	9-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Molecular Weight	357.05
Pubchem Id	1941
Chembl Id	CHEMBL600828

Targets of Information Source

DrugBank

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
Q9NZK7	BXGT021276	Group IIE secretory phospholipase A2	reviewed	Enzyme	PLA2G2E	experimental	-

PDB

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
P59071	BXGT011259	Basic phospholipase A2 VRV-PL-VIIIa	reviewed		-	-	-	1180	-
P58399	BXGT011234	Basic phospholipase A2 homolog piratoxin-1	reviewed		-	-	-	-	-

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	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	-	25000	-	-

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
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	IC50	'='	25000	nM
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01907	Aristolochia contorta	Aristolochia contorta	Medicinal Plant
BXGF03913	Aristolochia debilis	Aristolochia debilis	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}