acompound

Showing entry for Methyl lambertianate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0021896
Compound Name	Methyl lambertianate
Structure
Formula	C21H30O3
InchiKey	DCZZBGIVZGGJDO-BZLGROGESA-N
SMILES	COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1cocc1)C
Inchi	InChI=1S/C21H30O3/c1-15-6-9-18-20(2,11-5-12-21(18,3)19(22)23-4)17(15)8-7-16-10-13-24-14-16/h10,13-14,17-18H,1,5-9,11-12H2,2-4H3/t17-,18?,20+,21-/m0/s1
IUPAC	methyl (1S,4aR,5S)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
Molecular Weight	330.22
Pubchem Id	10664197
Chembl Id	CHEMBL90212

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	BXGT008663	Platelet-activating factor receptor	reviewed		PTAFR	-	>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
P21556	BXGT008663	Platelet-activating factor receptor	reviewed	-	PTAFR	IC50	'>'	1000000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01021	Pinus koraiensis	Pinus koraiensis	Medicinal Plant
BXGF05303	Lagerstroemia indica	Lagerstroemia indica	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}