acompound

Showing entry for Aristolochic D

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0031951
Compound Name	Aristolochic D
Structure
Formula	C17H11NO8
InchiKey	PADIFGYTAXNCRK-UHFFFAOYSA-N
SMILES	COc1cc(O)cc2c1cc(N(=O)=O)c1c2c2OCOc2cc1C(=O)O
Inchi	InChI=1S/C17H11NO8/c1-24-12-3-7(19)2-9-8(12)4-11(18(22)23)14-10(17(20)21)5-13-16(15(9)14)26-6-25-13/h2-5,19H,6H2,1H3,(H,20,21)
IUPAC	10-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Molecular Weight	357.05
Pubchem Id	161218
Chembl Id	CHEMBL604748

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	-	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
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	56234	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	1458	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	28183	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	28183	nM
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	IC50	'='	25000	nM
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	Activity	-	-	-
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	103	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	6513	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	6513	nM
P62826	BXGT011463	GTP-binding nuclear protein Ran	reviewed	Enzyme modulator	RAN	Potency	-	6513	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	32642	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01386	Asarum heterotropoides	Asarum heterotropoides	Others
BXGF01907	Aristolochia contorta	Aristolochia contorta	Medicinal Plant
BXGF02686	Aristolochia manshuriensis	Aristolochia manshuriensis	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}