acompound

Showing entry for Tetrahydrobungeanool

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042030
Compound Name	Tetrahydrobungeanool
Structure
Formula	C18H33NO2
InchiKey	GJDPGFHVEKFXEZ-SQIWNDBBSA-N
SMILES	CCCCCCCCC/C=C/C=C/C(=NCC(O)(C)C)O
Inchi	InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+
IUPAC	(2E,4E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide
Molecular Weight	295.25
Pubchem Id	5321844
Chembl Id	CHEMBL452912

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	Inhibition	'='	30	%
P34972	BXGT009779	Cannabinoid receptor 2	reviewed	G-protein coupled receptor	CNR2	IC50	'='	2	nM
P34972	BXGT009779	Cannabinoid receptor 2	reviewed	G-protein coupled receptor	CNR2	Inhibition	'='	73	%
P21554	BXGT008662	Cannabinoid receptor 1	reviewed	G-protein coupled receptor	CNR1	IC50	'='	4600	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03254	Zanthoxylum integrifoliolum	Zanthoxylum integrifoliolum	Medicinal Plant
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	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}