acompound

Showing entry for (2R,3R)-2,3-Bis[(1,3-benzodioxole-5-yl)methyl]-4-[[6-O-(alpha-L-arabinofuranosyl)-beta-D-glucopyranosyl]oxy]butane-1-ol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045331
Compound Name	(2R,3R)-2,3-Bis[(1,3-benzodioxole-5-yl)methyl]-4-[[6-O-(alpha-L-arabinofuranosyl)-beta-D-glucopyranosyl]oxy]butane-1-ol
Structure
Formula	C31H40O15
InchiKey	WPNHBACLDIPKCT-MIKONVCNSA-N
SMILES	OC[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)CO[C@@H]1O[C@H](CO[C@@H]2O[C@H]([C@@H]([C@H]2O)O)CO)[C@H]([C@@H]([C@H]1O)O)O)Cc1ccc2c(c1)OCO2
Inchi	InChI=1S/C31H40O15/c32-9-17(5-15-1-3-19-21(7-15)43-13-41-19)18(6-16-2-4-20-22(8-16)44-14-42-20)11-39-31-29(38)27(36)26(35)24(46-31)12-40-30-28(37)25(34)23(10-33)45-30/h1-4,7-8,17-18,23-38H,5-6,9-14H2/t17-,18-,23-,24+,25-,26+,27-,28+,29+,30+,31+/m0/s1
IUPAC
Molecular Weight	652.24
Pubchem Id	90682209
Chembl Id	CHEMBL3290506

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
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Activity	'='	58	%
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Activity	'='	59	%
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Activity	'='	62	%
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Activity	'='	58	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02988	Schisandra glaucescens	Schisandra glaucescens	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}