acompound

Showing entry for Citronellol

General Compound Information
BXGC Id	BXGC0007521
Compound Name	Citronellol
Structure
Formula	C10H20O
InchiKey	QMVPMAAFGQKVCJ-UHFFFAOYSA-N
SMILES	CC(CCO)CCC=C(C)C
Inchi	InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
IUPAC	3,7-dimethyloct-6-en-1-ol
Molecular Weight	156.27
Pubchem Id	8842
Chembl Id	CHEMBL395827

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

50037035

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	-	-	-	>100000
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

CHEMBL395827

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
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	3548	nM
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	EC50	-	-	-
P22309	BXGT008753	UDP-glucuronosyltransferase 1-1	reviewed	-	UGT1A1	Activity	'='	0	pm/min/mg
Q8R455	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	EC50	-	-	-
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	Efficacy	'<'	10	%
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'<'	30	%
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	7943	nM
Q8R455	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	Efficacy	'<'	10	%
Q8R455	BXGT018684	Transient receptor potential cation channel subfamily M member 8	reviewed	-	Trpm8	IC50	'>'	100000	nM
Q6RI86	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	Efficacy	'='	26	%
Q6RI86	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	EC50	'>'	100000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	32642	nM
Q6RI86	BXGT016509	Transient receptor potential cation channel subfamily A member 1	reviewed	-	Trpa1	IC50	'>'	100000	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	74978	nM
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	IC50	'>'	100000	nM
Q8NER1	BXGT018556	Transient receptor potential cation channel subfamily V member 1	reviewed	Ion channel	TRPV1	Activity	'='	43	uM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00043	Caraway	Carum carvi	Herbs and Spices
BXGF00054	Lemon	Citrus limon	Fruits
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00061	Coriander	Coriandrum sativum	Herbs and Spices
BXGF00063	Saffron	Crocus sativus	Herbs and Spices
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF00070	Lemon grass	Cymbopogon citratus	Herbs and Spices
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF00077	Rocket salad (ssp.)	Eruca vesicaria ssp. sativa	Vegetables
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00108	Lemon balm	Melissa officinalis	Herbs and Spices
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00118	Nutmeg	Myristica fragrans	Herbs and Spices
BXGF00119	Sweet basil	Ocimum basilicum	Herbs and Spices
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF00168	Winter savory	Satureja montana	Herbs and Spices
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF01080	Piper cubeba	Piper cubeba	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01958	Magnolia denudata	Magnolia denudata	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF01991	Rosa rugosa	Rosa rugosa	Medicinal Plant
BXGF02004	Magnolia salicifolia	Magnolia salicifolia	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02526	Santalum album	Santalum album	Medicinal Plant
BXGF02616	Curcuma phaeocaulis	Curcuma phaeocaulis	Others
BXGF02737	Artemisia scoparia	Artemisia scoparia	Medicinal Plant
BXGF02759	Magnolia biondii	Magnolia biondii	Medicinal Plant
BXGF02792	Ligusticum sinense	Ligusticum sinense	Medicinal Plant
BXGF02815	Pinellia ternata	Pinellia ternata	Medicinal Plant
BXGF02843	Magnolia kobus	Magnolia kobus	Medicinal Plant
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03379	Cnidium officinale	Cnidium officinale	Medicinal Plant
BXGF03426	Rhodiola crenulata	Rhodiola crenulata	Medicinal Plant
BXGF03536	Curcuma kwangsiensis	Curcuma kwangsiensis	Medicinal Plant
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF03977	Magnolia sprengeri	Magnolia sprengeri	Medicinal Plant
BXGF04173	Curcuma wenyujin	Curcuma wenyujin	Others
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04815	Litsea cubeba	Litsea cubeba	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04959	Citrus hystrix	Citrus hystrix	Medicinal Plant
BXGF04982	Ligusticum chuanxiong	Ligusticum chuanxiong	Medicinal Plant
BXGF04989	Eucalyptus citriodora	Eucalyptus citriodora	Medicinal Plant
BXGF05000	Citrus reticulate	Citrus reticulate	Others
BXGF05270	Pelargonium graveolens	Pelargonium graveolens	Medicinal Plant
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05805	Toddalia asiatica	Toddalia asiatica	Medicinal Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05977	Schisandra chinensis	Schisandra chinensis	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	Medicinal Plant
BXGF06120	Craibiodendron yunnanese	Craibiodendron yunnanese	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}