acompound

Showing entry for (E)-3-(1,3-Benzodioxol-5-Yl)Prop-2-Enoic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0047856
Compound Name	(E)-3-(1,3-Benzodioxol-5-Yl)Prop-2-Enoic Acid
Structure
Formula	C10H8O4
InchiKey	QFQYZMGOKIROEC-DUXPYHPUSA-N
SMILES	OC(=O)/C=C/c1ccc2c(c1)OCO2
Inchi	InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+
IUPAC	(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
Molecular Weight	192.04
Pubchem Id	643181
Chembl Id	CHEMBL1173153

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
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	31622	nM
Q8TDS4	BXGT018812	Hydroxycarboxylic acid receptor 2	reviewed	-	HCAR2	Activity	'='	7	%
P03470	BXGT006081	Neuraminidase	reviewed	-	NA	IC50	'>'	100000	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}