acompound

Showing entry for Cyclohexanone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002521
Compound Name	Cyclohexanone
Structure
Formula	C6H10O
InchiKey	JHIVVAPYMSGYDF-UHFFFAOYSA-N
SMILES	O=C1CCCCC1
Inchi	InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
IUPAC	cyclohexanone
Molecular Weight	98.14
Pubchem Id	7967
Chembl Id	CHEMBL18850

Targets of Information Source

DrugBank

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
P71278	BXGT011690	Pentaerythritol tetranitrate reductase	unreviewed	-	onr	experimental	-

PDB

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
P10807	BXGT007616	Alcohol dehydrogenase	reviewed	Adh	-	-	-	-	-
Q7PGA3	BXGT017075	AGAP010409-PA	unreviewed	OBP22	-	-	-	-	-
C0STX7	BXGT002405	Cyclohexanone monooxygenase	unreviewed	chnB	-	-	-	-	-
R4GRV2	BXGT022496	Cyclohexylamine Oxidase	unreviewed	chaA	-	-	-	-	-
P61823	BXGT011385	Ribonuclease pancreatic	reviewed	RNASE1	-	-	-	-	-
Q0CCT3	BXGT013066	Uncharacterized protein	unreviewed	ATEG_08501	-	-	-	-	-

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	BXGT007632	Phenylethanolamine N-methyltransferase	reviewed		PNMT	-	>1000000	-	-

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
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	100000	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	35481	nM
P10938	BXGT007632	Phenylethanolamine N-methyltransferase	reviewed	-	PNMT	IC50	'>'	1000000	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	1995	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	1458	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00063	Saffron	Crocus sativus	Herbs and Spices
BXGF00119	Sweet basil	Ocimum basilicum	Herbs and Spices
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00829	Green bell pepper	Capsicum annuum	Vegetables
BXGF00830	Yellow bell pepper	Capsicum annuum	Vegetables
BXGF00831	Orange bell pepper	Capsicum annuum	Vegetables
BXGF00832	Red bell pepper	Capsicum annuum	Vegetables
BXGF01426	Cornus officinalis	Cornus officinalis	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}