acompound

Showing entry for vanilloylcalleryanin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025009
Compound Name	vanilloylcalleryanin
Structure
Formula	C21H24O11
InchiKey	AWNIZJLTUVSVCI-GQUPQBGVSA-N
SMILES	OC[C@H]1O[C@@H](Oc2ccc(cc2O)COC(=O)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C21H24O11/c1-29-15-7-11(3-4-12(15)23)20(28)30-9-10-2-5-14(13(24)6-10)31-21-19(27)18(26)17(25)16(8-22)32-21/h2-7,16-19,21-27H,8-9H2,1H3/t16-,17-,18+,19-,21-/m1/s1
IUPAC	[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 4-hydroxy-3-methoxybenzoate
Molecular Weight	452.13
Pubchem Id	5315170
Chembl Id	CHEMBL515507

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
P10253	BXGT007550	Lysosomal alpha-glucosidase	reviewed	Enzyme	GAA	IC50	'>'	100	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04693	Pyrus calleryana	Pyrus calleryana	Medicinal Plant
BXGF05962	Rehmannia glutinosa	Rehmannia glutinosa	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}