acompound

Showing entry for (2R)-2alpha-[1-(beta-D-Glucopyranosyloxymethyl)ethenyl]-3beta-methoxy-6-(1-oxoethyl)-2,3-dihydrobenzofuran-5-ol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0044920
Compound Name	(2R)-2alpha-[1-(beta-D-Glucopyranosyloxymethyl)ethenyl]-3beta-methoxy-6-(1-oxoethyl)-2,3-dihydrobenzofuran-5-ol
Structure
Formula	C20H26O10
InchiKey	SCYVAILUHNGMEE-NXZWVFBWSA-N
SMILES	OC[C@H]1O[C@@H](OCC(=C)[C@H]2Oc3c([C@@H]2OC)cc(c(c3)C(=O)C)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C20H26O10/c1-8(7-28-20-17(26)16(25)15(24)14(6-21)30-20)18-19(27-3)11-4-12(23)10(9(2)22)5-13(11)29-18/h4-5,14-21,23-26H,1,6-7H2,2-3H3/t14-,15-,16+,17-,18-,19+,20-/m1/s1
IUPAC
Molecular Weight	426.15
Pubchem Id	57331845
Chembl Id	CHEMBL2011645

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	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed		Akr1b1	-	>30000	-	-

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
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'>'	30000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03693	Aster koraiensis	Aster koraiensis	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}