acompound

Showing entry for Methyl (E)-3-(1,3-Benzodioxol-5-Yl)Prop-2-Enoate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028030
Compound Name	Methyl (E)-3-(1,3-Benzodioxol-5-Yl)Prop-2-Enoate
Structure
Formula	C11H10O4
InchiKey	WPNYKVVEDMUXTO-HWKANZROSA-N
SMILES	COC(=O)/C=C/c1ccc2c(c1)OCO2
Inchi	InChI=1S/C11H10O4/c1-13-11(12)5-3-8-2-4-9-10(6-8)15-7-14-9/h2-6H,7H2,1H3/b5-3+
IUPAC	methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
Molecular Weight	206.06
Pubchem Id	736823
Chembl Id	CHEMBL17322

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
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	28183	nM
P08659	BXGT006805	Luciferin 4-monooxygenase	reviewed	-		Potency	-	37933	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	7943	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	35481	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	4610	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04540	Distemonanthus benthamianus	Distemonanthus benthamianus	Medicinal Plant
BXGF04590	Asplenium adiantum-nigrum	Asplenium adiantum-nigrum	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}