acompound

Showing entry for Pentaacetylquercetin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023107
Compound Name	Pentaacetylquercetin
Structure
Formula	C25H20O12
InchiKey	JQUHMSXLZZWRHU-UHFFFAOYSA-N
SMILES	CC(=O)Oc1cc(OC(=O)C)c2c(c1)oc(c(c2=O)OC(=O)C)c1ccc(c(c1)OC(=O)C)OC(=O)C
Inchi	InChI=1S/C25H20O12/c1-11(26)32-17-9-20(35-14(4)29)22-21(10-17)37-24(25(23(22)31)36-15(5)30)16-6-7-18(33-12(2)27)19(8-16)34-13(3)28/h6-10H,1-5H3
IUPAC	[2-acetyloxy-4-(3,5,7-triacetyloxy-4-oxochromen-2-yl)phenyl] acetate
Molecular Weight	512.1
Pubchem Id	14005
Chembl Id	CHEMBL19074

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	BXGT012563	cGMP-dependent 3',5'-cyclic phosphodiesterase	reviewed		Pde2a	-	275000	-	-

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
Q01066	BXGT012565	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B	reviewed	-	Pde1b	IC50	-	-	-
Q9EPR9	BXGT020293	Phosphodiesterase	unreviewed	-	Pde1a	IC50	-	-	-
Q63421	BXGT016070	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C	reviewed	-	Pde1c	IC50	-	-	-
P38918	BXGT010071	Aflatoxin B1 aldehyde reductase member 3	reviewed	-	Akr7a3	Inhibition	'='	6	%
P38918	BXGT010071	Aflatoxin B1 aldehyde reductase member 3	reviewed	-	Akr7a3	Inhibition	'='	18	%
O96394	BXGT005423	Arginase	unreviewed	-		IC50	'='	120800	nM
P38918	BXGT010071	Aflatoxin B1 aldehyde reductase member 3	reviewed	-	Akr7a3	Inhibition	'='	12	%
Q01062	BXGT012563	cGMP-dependent 3',5'-cyclic phosphodiesterase	reviewed	-	Pde2a	IC50	'='	275000	nM
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	-	XDH	Inhibition	'='	0	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05051	Rhamnus	Rhamnus	Medicinal Plant
BXGF05072	byrsonima coccolobifolia	byrsonima coccolobifolia	Human Edible 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}