acompound

Showing entry for 5-Methoxy-1,7-diphenyl-3-heptanone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005298
Compound Name	5-Methoxy-1,7-diphenyl-3-heptanone
Structure
Formula	C20H24O2
InchiKey	PVYORFBABSDDNC-UHFFFAOYSA-N
SMILES	COC(CCC1=CC=CC=C1)CC(=O)CCC1=CC=CC=C1
Inchi	InChI=1S/C20H24O2/c1-22-20(15-13-18-10-6-3-7-11-18)16-19(21)14-12-17-8-4-2-5-9-17/h2-11,20H,12-16H2,1H3
IUPAC	5-methoxy-1,7-diphenylheptan-3-one
Molecular Weight	296.4
Pubchem Id	5319430
Chembl Id	CHEMBL240485

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
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	14	%
Q92731	BXGT019366	Estrogen receptor beta	reviewed	Nuclear receptor	ESR2	Activity	'='	19	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF03733	Alpinia officinarum	Alpinia officinarum	Medicinal Plant
BXGF05910	Desmodium gangeticum	Desmodium gangeticum	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}