acompound

Showing entry for aristolochic acid B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044597
Compound Name	aristolochic acid B
Structure
Formula	C16H9NO6
InchiKey	MEEXETVZNQYRSP-UHFFFAOYSA-N
SMILES	O=N(=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O
Inchi	InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)
IUPAC	6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Molecular Weight	311.04
Pubchem Id	108168
Chembl Id	CHEMBL602280

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	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	-	>20000	-	-

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	'>'	20000	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
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01386	Asarum heterotropoides	Asarum heterotropoides	Others
BXGF01476	Stephania tetrandra	Stephania tetrandra	Medicinal Plant
BXGF01549	Sinomenium acutum	Sinomenium acutum	Medicinal Plant
BXGF01907	Aristolochia contorta	Aristolochia contorta	Medicinal Plant
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03913	Aristolochia debilis	Aristolochia debilis	Medicinal Plant
BXGF05627	Asarum sieboldii	Asarum sieboldii	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}