acompound

Showing entry for alpha-Ionone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0007518
Compound Name	alpha-Ionone
Structure
Formula	C13H20O
InchiKey	UZFLPKAIBPNNCA-BQYQJAHWSA-N
SMILES	CC(=O)\C=C\C1C(C)=CCCC1(C)C
Inchi	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
IUPAC	(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Molecular Weight	192.3
Pubchem Id	5282108
Chembl Id	CHEMBL472877

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
Q8NHB7	BXGT018568	Olfactory receptor 5K1	reviewed	-	OR5K1	Inhibition	'>='	75	%

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
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00337	Ginkgo nuts	Ginkgo biloba	Herbs and Spices
BXGF01743	Uncaria macrophylla	Uncaria macrophylla	Medicinal Plant
BXGF02635	Ephedra sinica	Ephedra sinica	Medicinal Plant
BXGF03671	Leonurus japonicus	Leonurus japonicus	Medicinal Plant
BXGF04436	Podocarpus macrophyllus	Podocarpus macrophyllus	Medicinal Plant
BXGF05964	Citrullus lanatus subsp. vulgaris	Citrullus lanatus subsp. vulgaris	0

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}