acompound

Showing entry for 4-Heptyl-gamma-butyrolactone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004345
Compound Name	4-Heptyl-gamma-butyrolactone
Structure
Formula	C11H20O2
InchiKey	PHXATPHONSXBIL-UHFFFAOYSA-N
SMILES	CCCCCCCC1CCC(=O)O1
Inchi	InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
IUPAC	5-heptyloxolan-2-one
Molecular Weight	184.28
Pubchem Id	7714
Chembl Id	CHEMBL195827

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
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	12197	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	IC50	'='	45000	nM
Q8NHB7	BXGT018568	Olfactory receptor 5K1	reviewed	-	OR5K1	Inhibition	'>='	50	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00149	Peach	Prunus persica	Fruits
BXGF00808	Pomes		Fruits
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00816	Fats and oils		Fats and oils
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00823	Fruits		Fruits
BXGF04875	Bupleurum chinense	Bupleurum chinense	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}