acompound

Showing entry for Acetic acid [(2S)-2alpha-(4-methoxy-1,3-benzodioxole-6-yl)-4alpha-(hydroxymethyl)-5alpha-(3,4,5-trimethoxyphenyl)tetrahydrofuran]-3beta-ylmethyl ester

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038390
Compound Name	Acetic acid [(2S)-2alpha-(4-methoxy-1,3-benzodioxole-6-yl)-4alpha-(hydroxymethyl)-5alpha-(3,4,5-trimethoxyphenyl)tetrahydrofuran]-3beta-ylmethyl ester
Structure
Formula	C25H30O10
InchiKey	XVJHXVOMXKSXLD-BSWISCRUSA-N
SMILES	OC[C@@H]1[C@@H](O[C@@H]([C@H]1COC(=O)C)c1cc(OC)c2c(c1)OCO2)c1cc(OC)c(c(c1)OC)OC
Inchi	InChI=1S/C25H30O10/c1-13(27)32-11-17-16(10-26)22(14-6-18(28-2)24(31-5)19(7-14)29-3)35-23(17)15-8-20(30-4)25-21(9-15)33-12-34-25/h6-9,16-17,22-23,26H,10-12H2,1-5H3/t16-,17-,22-,23+/m0/s1
IUPAC	[(2S,3R,4R,5R)-4-(hydroxymethyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl acetate
Molecular Weight	490.18
Pubchem Id	11948662
Chembl Id	CHEMBL465549

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
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Inhibition	'='	138	%
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Inhibition	'='	110	%
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Inhibition	'='	97	%
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Inhibition	'='	105	%
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Inhibition	'='	107	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01685	Metanarthecium luteoviride	Metanarthecium luteoviride	Others
BXGF02318	Pandanus tectorius	Pandanus tectorius	Medicinal Plant
BXGF04506	Sarcococca saligna	Sarcococca saligna	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}