acompound

Showing entry for (??)-Citronellyl acetate

General Compound Information
BXGC Id	BXGC0006095
Compound Name	(??)-Citronellyl acetate
Structure
Formula	C12H22O2
InchiKey	JOZKFWLRHCDGJA-UHFFFAOYSA-N
SMILES	CC(CCOC(C)=O)CCC=C(C)C
Inchi	InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
IUPAC	3,7-dimethyloct-6-en-1-yl acetate
Molecular Weight	198.31
Pubchem Id	9017
Chembl Id	CHEMBL1453648

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

50037054

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	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed		Trpa1	-	-	-	12200
reviewed	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed		Trpa1	-	>100000	-	-
reviewed	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed		Trpm8	-	>100000	-	-
reviewed	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	-	>100000	-	-

CHEMBL

CHEMBL1453648

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
Q6RI86	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	EC50	'='	12200	nM
Q8R455	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	EC50	-	-	-
Q8R455	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	IC50	'>'	100000	nM
O75762	BXGT005151	Transient receptor potential cation channel subfamily A member 1	reviewed	Ion channel	TRPA1	Inhibition	'='	70	%
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	10000	nM
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	IC50	'>'	100000	nM
Q6RI86	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	IC50	'>'	100000	nM
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	Efficacy	'<'	10	%
Q6RI86	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	Efficacy	'='	32	%
Q8R455	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	Efficacy	'<'	10	%
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	EC50	-	-	-

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
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF00070	Lemon grass	Cymbopogon citratus	Herbs and Spices
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00111	Cornmint	Mentha arvensis	Herbs and Spices
BXGF00118	Nutmeg	Myristica fragrans	Herbs and Spices
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00239	Grapefruit	Citrus X paradisi	Fruits
BXGF00806	Alcoholic beverages		Beverages
BXGF00811	Citrus		Fruits
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF01716	Mentha canadensis	Mentha canadensis	Medicinal Plant
BXGF02011	Boswellia carterii	Boswellia carterii	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02542	Inula helenium	Inula helenium	Medicinal Plant
BXGF02612	Mosla chinensis	Mosla chinensis	Medicinal Plant
BXGF02616	Curcuma phaeocaulis	Curcuma phaeocaulis	Others
BXGF02737	Artemisia scoparia	Artemisia scoparia	Medicinal Plant
BXGF03243	Elsholtzia ciliata	Elsholtzia ciliata	Medicinal Plant
BXGF03536	Curcuma kwangsiensis	Curcuma kwangsiensis	Medicinal Plant
BXGF04173	Curcuma wenyujin	Curcuma wenyujin	Others
BXGF04959	Citrus hystrix	Citrus hystrix	Medicinal Plant
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05977	Schisandra chinensis	Schisandra chinensis	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	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}