acompound

Showing entry for (E)-3-(1,3-Benzodioxol-5-Yl)-1-Pyrrolidin-1-Ylprop-2-En-1-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028754
Compound Name	(E)-3-(1,3-Benzodioxol-5-Yl)-1-Pyrrolidin-1-Ylprop-2-En-1-One
Structure
Formula	C14H15NO3
InchiKey	SXFYVDPKNPGHKJ-GQCTYLIASA-N
SMILES	O=C(N1CCCC1)/C=C/c1ccc2c(c1)OCO2
Inchi	InChI=1S/C14H15NO3/c16-14(15-7-1-2-8-15)6-4-11-3-5-12-13(9-11)18-10-17-12/h3-6,9H,1-2,7-8,10H2/b6-4+
IUPAC	(E)-3-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
Molecular Weight	245.11
Pubchem Id	694735
Chembl Id	CHEMBL2203920

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

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
reviewed	BXGT009172	Amine oxidase [flavin-containing] B	reviewed		MAOB	-	4890	-	-
reviewed	BXGT008644	Amine oxidase [flavin-containing] A	reviewed		MAOA	-	>100000	-	-

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
P21397	BXGT008644	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	IC50	'>'	100000	nM
P27338	BXGT009172	Amine oxidase [flavin-containing] B	reviewed	-	MAOB	IC50	'='	4890	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices

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}