acompound

Showing entry for 3,4-Dihydroxyphenylethyl Beta-D-Glucopyranoside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035469
Compound Name	3,4-Dihydroxyphenylethyl Beta-D-Glucopyranoside
Structure
Formula	C14H20O8
InchiKey	PQQITYGQJLPDFC-RKQHYHRCSA-N
SMILES	OC[C@H]1O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1
IUPAC	(2R,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	316.12
Pubchem Id	5316821
Chembl Id	CHEMBL1689261

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
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	Inhibition	-	-	-
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00888	Echinocereus blanckii	Echinocereus blanckii	Others
BXGF01004	Rabdosia weisiensis	Rabdosia weisiensis	Others
BXGF01139	Alluaudia ascendens	Alluaudia ascendens	Others
BXGF02903	Lepisorus contortus	Lepisorus contortus	Others
BXGF03015	Gmelina arborea	Gmelina arborea	Medicinal Plant
BXGF03547	Physostigma venenosum	Physostigma venenosum	Medicinal Plant
BXGF05240	Centaurea collina	Centaurea collina	Others
BXGF05282	Achillea serbica	Achillea serbica	Others
BXGF05461	Euonymus nanus	Euonymus nanus	Others
BXGF05536	Millingtonia hortensis	Millingtonia hortensis	Medicinal Plant
BXGF05703	Sinapis nigra	Sinapis nigra	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}