acompound

Showing entry for Isobungeanool

General Compound Information
BXGC Id	BXGC0044229
Compound Name	Isobungeanool
Structure
Formula	C18H29NO2
InchiKey	HSFPMLIZJAVYHM-NPNWTSAVSA-N
SMILES	CC/C=C/C/C=C\CC/C=C/C=C/C(=NCC(O)(C)C)O
Inchi	InChI=1S/C18H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h5-6,8-9,12-15,21H,4,7,10-11,16H2,1-3H3,(H,19,20)/b6-5+,9-8-,13-12+,15-14+
IUPAC	(2E,4E,8Z,11E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
Molecular Weight	291.22
Pubchem Id	14135320
Chembl Id	CHEMBL505802

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

CHEMBL505802

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	'='	45	%
P34972	BXGT009779	Cannabinoid receptor 2	reviewed	G-protein coupled receptor	CNR2	IC50	'='	9100	nM
P21554	BXGT008662	Cannabinoid receptor 1	reviewed	G-protein coupled receptor	CNR1	IC50	'='	2400	nM
P34972	BXGT009779	Cannabinoid receptor 2	reviewed	G-protein coupled receptor	CNR2	Inhibition	'='	62	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00904	Platonia insignis	Platonia insignis	Medicinal Plant
BXGF00982	Matricaria suffruticosa	Matricaria suffruticosa	Medicinal Plant
BXGF01619	Centaurea calcitrapa	Centaurea calcitrapa	Medicinal Plant
BXGF01881	Wedelia prostrata	Wedelia prostrata	Others
BXGF01903	Erica glauca	Erica glauca	Others
BXGF02068	Leucas neufliseana	Leucas neufliseana	Others
BXGF03029	Udotea petiolata	Udotea petiolata	Others
BXGF03254	Zanthoxylum integrifoliolum	Zanthoxylum integrifoliolum	Medicinal Plant
BXGF03367	Tecoma pentaphylla	Tecoma pentaphylla	Others
BXGF04333	Jacobaea vulgaris	Jacobaea vulgaris	Others
BXGF04760	Wikstroemia chamaedaphne	Wikstroemia chamaedaphne	Medicinal Plant
BXGF05220	Ulmus americana	Ulmus americana	Medicinal Plant
BXGF05260	Peucedanum praeruptorum	Peucedanum praeruptorum	Medicinal Plant
BXGF05290	Reaumuria hirtella	Reaumuria hirtella	Others
BXGF05361	Coleus esquirolii	Coleus esquirolii	Others
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05545	Litsea glutinosa	Litsea glutinosa	Medicinal Plant
BXGF05620	Echinosophora koreensis	Echinosophora koreensis	Others
BXGF05673	Garcinia intermedia	Garcinia intermedia	Human Edible Plant
BXGF05723	Bellium bellidioides	Bellium bellidioides	Others
BXGF05745	Elegia deusta	Elegia deusta	Others
BXGF05770	Sida veronicaefolia	Sida veronicaefolia	Medicinal Plant
BXGF05881	Salvia munzii	Salvia munzii	Others
BXGF05901	Kielmeyera coriacea	Kielmeyera coriacea	Medicinal Plant
BXGF05914	Solanum transcaucasicum	Solanum transcaucasicum	Others
BXGF05916	Senecio densiflorus	Senecio densiflorus	Others
BXGF05951	Consolida hohenackeri	Consolida hohenackeri	Others
BXGF06027	Angelica taiwaniana	Angelica taiwaniana	Medicinal Plant
BXGF06068	Lithospermum officinale	Lithospermum officinale	Medicinal Plant
BXGF06146	Sarcococca vagans	Sarcococca vagans	Medicinal Plant
BXGF06179	Trachelospermum lucidum	Trachelospermum lucidum	Medicinal Plant
BXGF06327	Cynara humilis	Cynara humilis	Human Edible 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}