acompound

Showing entry for 2-Decanone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002570
Compound Name	2-Decanone
Structure
Formula	C10H20O
InchiKey	ZAJNGDIORYACQU-UHFFFAOYSA-N
SMILES	CCCCCCCCC(C)=O
Inchi	InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
IUPAC	decan-2-one
Molecular Weight	156.27
Pubchem Id	12741
Chembl Id	CHEMBL47127

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

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	BXGT013978	Liver carboxylesterase	reviewed		-	-	67608297.54	-	-
reviewed	BXGT003942	Cocaine esterase	reviewed	Enzyme	CES2	-	8511380.38	-	-
reviewed	BXGT019302	Acylcarnitine hydrolase	reviewed		Ces2c	-	169824365.3	-	-

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
Q91WG0	BXGT019302	Acylcarnitine hydrolase	reviewed	-	Ces2c	IC50	'='	169824365	nM
Q29550	BXGT013978	Liver carboxylesterase	reviewed	-		IC50	'='	67608297	nM
A1ZA98	BXGT001071	Carboxylic ester hydrolase	unreviewed	-	Jhe	IC50	'='	7079457	nM
O00748	BXGT003942	Cocaine esterase	reviewed	Enzyme	CES2	IC50	'='	8511380	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00033	Kohlrabi	Brassica oleracea var. gongylodes	Vegetables
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01823	Houttuynia cordata	Houttuynia cordata	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF05462	Campsis flos	Campsis flos	Others

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}