acompound

Showing entry for 2,4-Dihydroxy-3-[(2E)-3,7-dimethyl-2,6-octadienyl]-6-pentylbenzoic acid 1-methyl-1-[(2R)-4aalpha,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2alpha-yl]ethyl ester

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038253
Compound Name	2,4-Dihydroxy-3-[(2E)-3,7-dimethyl-2,6-octadienyl]-6-pentylbenzoic acid 1-methyl-1-[(2R)-4aalpha,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2alpha-yl]ethyl ester
Structure
Formula	C37H56O4
InchiKey	XFHILZJWJRPXJU-FYNDAFEESA-N
SMILES	CCCCCc1cc(O)c(c(c1C(=O)OC([C@@H]1CC[C@@]2(C(=C(C)CCC2)C1)C)(C)C)O)C/C=C(/CCC=C(C)C)\C
Inchi	InChI=1S/C37H56O4/c1-9-10-11-17-28-23-32(38)30(19-18-26(4)15-12-14-25(2)3)34(39)33(28)35(40)41-36(6,7)29-20-22-37(8)21-13-16-27(5)31(37)24-29/h14,18,23,29,38-39H,9-13,15-17,19-22,24H2,1-8H3/b26-18+/t29-,37-/m1/s1
IUPAC	2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-yl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoate
Molecular Weight	564.42
Pubchem Id	24862527
Chembl Id	CHEMBL465712

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
P21554	BXGT008662	Cannabinoid receptor 1	reviewed	G-protein coupled receptor	CNR1	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05853	Cannabis sativa	Cannabis sativa	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}