acompound

Showing entry for Lepachol acetate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0040077
Compound Name	Lepachol acetate
Structure
Formula	C16H16O2
InchiKey	ABSPRNADVQNDOU-UHFFFAOYSA-N
SMILES	CC(=CCC1=C(C)C(=O)c2c(C1=O)cccc2)C
Inchi	InChI=1S/C16H16O2/c1-10(2)8-9-12-11(3)15(17)13-6-4-5-7-14(13)16(12)18/h4-8H,9H2,1-3H3
IUPAC	2-methyl-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
Molecular Weight	240.12
Pubchem Id	276204
Chembl Id	CHEMBL1807061

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
O75469	BXGT005128	Nuclear receptor subfamily 1 group I member 2	reviewed	Nuclear receptor	NR1I2	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05354	Tabebuia avellanedae	Tabebuia avellanedae	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}