acompound

Showing entry for Carvyl acetate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0009308
Compound Name	Carvyl acetate
Structure
Formula	C12H18O2
InchiKey	YTHRBOFHFYZBRJ-UHFFFAOYSA-N
SMILES	CC(=O)OC1CC(CC=C1C)C(C)=C
Inchi	InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3
IUPAC	2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl acetate
Molecular Weight	194.27
Pubchem Id	7335
Chembl Id	CHEMBL1351619

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
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	39810	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	794	nM
Q9R1A7	BXGT021413	Nuclear receptor subfamily 1 group I member 2	reviewed	-	Nr1i2	Potency	-	79432	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	66824	nM
P51449	BXGT010846	Nuclear receptor ROR-gamma	reviewed	Nuclear receptor	RORC	Potency	-	10590	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00043	Caraway	Carum carvi	Herbs and Spices
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	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}