acompound

Showing entry for Quercitrin 2''-O-Gallate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042918
Compound Name	Quercitrin 2''-O-Gallate
Structure
Formula	C28H24O15
InchiKey	KTTNFIOZYNBKEY-YIOJSCHVSA-N
SMILES	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)O)O)c1ccc(c(c1)O)O
Inchi	InChI=1S/C28H24O15/c1-9-20(35)23(38)26(42-27(39)11-5-16(33)21(36)17(34)6-11)28(40-9)43-25-22(37)19-15(32)7-12(29)8-18(19)41-24(25)10-2-3-13(30)14(31)4-10/h2-9,20,23,26,28-36,38H,1H3/t9-,20-,23+,26+,28-/m0/s1
IUPAC	[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
Molecular Weight	600.11
Pubchem Id	10031482
Chembl Id	CHEMBL3236511

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	BXGT009770	Bifunctional epoxide hydrolase 2	reviewed	Enzyme	EPHX2	-	18640	-	-

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
P34913	BXGT009770	Bifunctional epoxide hydrolase 2	reviewed	Enzyme	EPHX2	Inhibition	'>'	40	%
P34913	BXGT009770	Bifunctional epoxide hydrolase 2	reviewed	Enzyme	EPHX2	IC50	'='	18640	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00432	Sesbania flower	Sesbania bispinosa	Vegetables
BXGF00878	Lespedeza bicolor	Lespedeza bicolor	Medicinal Plant
BXGF01208	Angelica lucida	Angelica lucida	Human Edible Plant
BXGF01229	Strophanthus kombe	Strophanthus kombe	Medicinal Plant
BXGF01271	Castanea vesca	Castanea vesca	Others
BXGF01626	Nerine bowdenii	Nerine bowdenii	Others
BXGF01630	Cotula cinerea	Cotula cinerea	Medicinal Plant
BXGF01706	Daphniphyllum paxianum	Daphniphyllum paxianum	Others
BXGF03219	Hymenoxys insignis	Hymenoxys insignis	Others
BXGF05195	Limonium sinense	Limonium sinense	Others
BXGF05393	Ekebergia senegalensis	Ekebergia senegalensis	Others
BXGF05520	Euphorbia humifusa	Euphorbia humifusa	Medicinal Plant
BXGF05522	Solidago serotina	Solidago serotina	Others
BXGF05689	Artemisia klotzchiana	Artemisia klotzchiana	Others
BXGF05732	Mimusops caffra	Mimusops caffra	Human Edible Plant
BXGF05967	Veronica arvensis	Veronica arvensis	Medicinal Plant
BXGF06167	Sorbaria sorbifolia	Sorbaria sorbifolia	Medicinal Plant
BXGF06183	Adina sessilifolia	Adina sessilifolia	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}