acompound

Showing entry for N-Isobutyl-(2E,4E)-Dodecadienamide

General Compound Information
BXGC Id	BXGC0036439
Compound Name	N-Isobutyl-(2E,4E)-Dodecadienamide
Structure
Formula	C16H29NO
InchiKey	BBRMJCAPNGJKEM-AQASXUMVSA-N
SMILES	CCCCCCC/C=C/C=C/C(=NCC(C)C)O
Inchi	InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+
IUPAC	(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide
Molecular Weight	251.22
Pubchem Id	6443006
Chembl Id	CHEMBL426912

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

50212599

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	BXGT009779	Cannabinoid receptor 2	reviewed	G-protein coupled receptor	CNR2	52	-	-	-

CHEMBL

CHEMBL426912

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
P34972	BXGT009779	Cannabinoid receptor 2	reviewed	G-protein coupled receptor	CNR2	Activity	'='	50	%
P34972	BXGT009779	Cannabinoid receptor 2	reviewed	G-protein coupled receptor	CNR2	Ki	'='	52	nM
P32300	BXGT009618	Delta-type opioid receptor	reviewed	-	Oprd1	Ki	'='	43000	nM
P47936	BXGT010599	Cannabinoid receptor 2	reviewed	-	Cnr2	Ki	'='	900	nM
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	FC	'='	4	-
P47746	BXGT010582	Cannabinoid receptor 1	reviewed	-	Cnr1	Ki	'='	2600	nM
P42866	BXGT010343	Mu-type opioid receptor	reviewed	-	Oprm1	Ki	'='	8200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices
BXGF00891	Artabotrys uncinatus	Artabotrys uncinatus	Others
BXGF00905	Scrophularia leucoclada	Scrophularia leucoclada	Others
BXGF00943	Brickellia longifolia	Brickellia longifolia	Others
BXGF00976	Verbesina virginica	Verbesina virginica	Others
BXGF01072	Dichotomanthes tristaniicarpa	Dichotomanthes tristaniicarpa	Others
BXGF01075	Arnebia decumbens	Arnebia decumbens	Others
BXGF01161	Nigella aristata	Nigella aristata	Others
BXGF01165	Cochlearia officinalis	Cochlearia officinalis	Medicinal Plant
BXGF01212	Crotalaria mitchellii	Crotalaria mitchellii	Others
BXGF01368	Frullania brasiliensis	Frullania brasiliensis	Medicinal Plant
BXGF01396	Bupleurum rigidum	Bupleurum rigidum	Medicinal Plant
BXGF01515	Polypodium vulgare	Polypodium vulgare	Medicinal Plant
BXGF01531	Abies webbiana	Abies webbiana	Medicinal Plant
BXGF01589	Glycosmis puberula	Glycosmis puberula	Others
BXGF01644	Otanthus maritimus	Otanthus maritimus	Others
BXGF01786	Berkheya rhapontica	Berkheya rhapontica	Medicinal Plant
BXGF01916	Clerodendrum cyrtophyllum	Clerodendrum cyrtophyllum	Medicinal Plant
BXGF01942	Acanthothamnus aphyllus	Acanthothamnus aphyllus	Others
BXGF01979	Cephalotaxus hainanensis	Cephalotaxus hainanensis	Others
BXGF02832	Acanthosyris paulo-alvinii	Acanthosyris paulo-alvinii	Human Edible Plant
BXGF02966	Achillea magnifica	Achillea magnifica	Others
BXGF03009	Crinum stuhlmannii	Crinum stuhlmannii	Others
BXGF03393	Stypandra imbricata	Stypandra imbricata	Others
BXGF03575	Palisota barteri	Palisota barteri	Others
BXGF03737	Matsumurella chinensis	Matsumurella chinensis	Others
BXGF04299	Cladrastis kentukea	Cladrastis kentukea	Others
BXGF04427	Silene banksia	Silene banksia	Others
BXGF04642	Podocarpus minor	Podocarpus minor	Others
BXGF04660	Piper sarmentosum	Piper sarmentosum	Medicinal Plant
BXGF05156	Ardisia japonica	Ardisia japonica	Medicinal Plant
BXGF05189	Dracontium loretense	Dracontium loretense	Others
BXGF05190	Ferula gummosa	Ferula gummosa	Medicinal Plant
BXGF05321	Dracaena ombet	Dracaena ombet	Others
BXGF05326	Aglaia perviridis	Aglaia perviridis	Human Edible Plant
BXGF05469	Pseudoxandra sclerocarpa	Pseudoxandra sclerocarpa	Others
BXGF05508	Oocystis polymorpha	Oocystis polymorpha	Others
BXGF05587	Phoebe grandis	Phoebe grandis	Others
BXGF05648	Euphorbia wangii	Euphorbia wangii	Others
BXGF05671	Carpesium longifolium	Carpesium longifolium	Medicinal Plant
BXGF05685	Rubus pileatus	Rubus pileatus	Others
BXGF05694	Piper retrofractum	Piper retrofractum	Medicinal Plant
BXGF05741	Crocus corsicus	Crocus corsicus	Others
BXGF05773	Myrica arborea	Myrica arborea	Others
BXGF05792	Schefflera venulosa	Schefflera venulosa	Medicinal Plant
BXGF05811	Echinacea angustifolia	Echinacea angustifolia	Medicinal Plant
BXGF06013	Iryanthera polyneura	Iryanthera polyneura	Others
BXGF06199	Polygala aureocauda	Polygala aureocauda	Others
BXGF06264	Homalium laurifolium	Homalium laurifolium	Others
BXGF06277	Vincetoxicum hirundinaria	Vincetoxicum hirundinaria	Medicinal Plant
BXGF06309	Betula alnoides	Betula alnoides	Medicinal Plant
BXGF06316	Coelogyne nitida	Coelogyne nitida	Others

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}