acompound

Showing entry for 4-Cholesten 3-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042999
Compound Name	4-Cholesten 3-One
Structure
Formula	C27H44O
InchiKey	NYOXRYYXRWJDKP-GYKMGIIDSA-N
SMILES	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C)C
Inchi	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
IUPAC	(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Weight	384.34
Pubchem Id	91477
Chembl Id	CHEMBL63243

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

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
P9WPP1	BXGT012466	Steroid C26-monooxygenase	reviewed	cyp125	-	-	-	1180	-
A0R4Q6	BXGT000946	Steroid C26-monooxygenase	reviewed	cyp142	-	-	-	520	-
P22680	BXGT008794	Cholesterol 7-alpha-monooxygenase	reviewed	CYP7A1	Enzyme	-	-	-	-

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	BXGT012465	Steroid C26-monooxygenase	reviewed		cyp125	-	-	1200	-
reviewed	BXGT012460	Steroid C26-monooxygenase	reviewed		cyp142	-	-	360	-
reviewed	BXGT019744	Ghrelin O-acyltransferase	reviewed		MBOAT4	-	>1.000e+6	-	-

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
P9WPP1	BXGT012466	Steroid C26-monooxygenase	reviewed	-	cyp125	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00955	Peucedanum graveolens	Peucedanum graveolens	Medicinal Plant
BXGF01331	Juniperus serawschanica	Juniperus serawschanica	Others
BXGF02078	Trifolium pannonicum	Trifolium pannonicum	Medicinal Plant
BXGF02787	Melia azedarach	Melia azedarach	Medicinal Plant
BXGF02789	Ladeania juncea	Ladeania juncea	Others
BXGF03624	Scutellaria glabra	Scutellaria glabra	Others
BXGF05485	Ligularia atroviolacea	Ligularia atroviolacea	Others
BXGF05695	Cymbidium aloifolium	Cymbidium aloifolium	Others
BXGF06100	Delphinium dictyocarpum	Delphinium dictyocarpum	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}