acompound

Showing entry for Quercetin 3-diglucoside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0040154
Compound Name	Quercetin 3-diglucoside
Structure
Formula	C27H30O17
InchiKey	UTECWQIXBMWRRR-QXHWVZJPSA-N
SMILES	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Inchi	InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1
IUPAC	3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular Weight	626.15
Pubchem Id	10211337
Chembl Id	CHEMBL3103833

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Activity	'='	107	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Activity	'='	82	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Activity	'='	111	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Activity	'='	97	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Activity	'='	103	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Activity	'='	95	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01447	Euphorbia helioscopia	Euphorbia helioscopia	Medicinal Plant
BXGF03423	Chimonanthus fragrans	Chimonanthus fragrans	Others

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}