acompound

Showing entry for Persicarin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0022740
Compound Name	Persicarin
Structure
Formula	C16H12O10S.K
InchiKey	OBHPUIPWBGHSKF-UHFFFAOYSA-M
SMILES	COc1cc(ccc1O)c1oc2cc([O-])cc(c2c(=O)c1OS(=O)(=O)O)O.[K+]
Inchi	InChI=1S/C16H12O10S.K/c1-24-11-4-7(2-3-9(11)18)15-16(26-27(21,22)23)14(20)13-10(19)5-8(17)6-12(13)25-15;/h2-6,17-19H,1H3,(H,21,22,23);/q;+1/p-1
IUPAC	potassium;[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl] sulfate
Molecular Weight	395.01
Pubchem Id	23669384
Chembl Id	CHEMBL471479

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
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	90	%
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	IC50	'='	34600	nM
P80276	BXGT011888	Aldo-keto reductase family 1 member B1	reviewed	-	AKR1B1	IC50	'='	69000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05552	Catharanthus roseus	Catharanthus roseus	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}