acompound

General Compound Information
BXGC Id	BXGC0024991
Compound Name	(2Z)-5-{[(2E,4E,6E)-7-(2-Thienyl)-2,4,6-Heptatrienoyl]Amino}-2-Pentenyl 3-Methylbutanoate
Structure
Formula	C21H27NO3S
InchiKey	UXKHBPOYZOPFIH-MKAYIHSVSA-N
SMILES	CC(CC(=O)OC/C=C\CCN=C(/C=C/C=C/C=C/c1cccs1)O)C
Inchi	InChI=1S/C21H27NO3S/c1-18(2)17-21(24)25-15-9-5-8-14-22-20(23)13-7-4-3-6-11-19-12-10-16-26-19/h3-7,9-13,16,18H,8,14-15,17H2,1-2H3,(H,22,23)/b4-3+,9-5-,11-6+,13-7+
IUPAC	[(Z)-5-[[(2E,4E,6E)-7-thiophen-2-ylhepta-2,4,6-trienoyl]amino]pent-2-enyl] 3-methylbutanoate
Molecular Weight	373.17
Pubchem Id	72696081
Chembl Id	CHEMBL2442639

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
P47746	BXGT010582	Cannabinoid receptor 1	reviewed	-	Cnr1	Ki	'='	5600	nM
P32300	BXGT009618	Delta-type opioid receptor	reviewed	-	Oprd1	Ki	'='	11000	nM
P42866	BXGT010343	Mu-type opioid receptor	reviewed	-	Oprm1	Ki	'='	41500	nM
P47936	BXGT010599	Cannabinoid receptor 2	reviewed	-	Cnr2	Ki	'='	10200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00891	Artabotrys uncinatus	Artabotrys uncinatus	Others
BXGF00905	Scrophularia leucoclada	Scrophularia leucoclada	Others
BXGF01075	Arnebia decumbens	Arnebia decumbens	Others
BXGF01161	Nigella aristata	Nigella aristata	Others
BXGF01212	Crotalaria mitchellii	Crotalaria mitchellii	Others
BXGF01515	Polypodium vulgare	Polypodium vulgare	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
BXGF02966	Achillea magnifica	Achillea magnifica	Others
BXGF03009	Crinum stuhlmannii	Crinum stuhlmannii	Others
BXGF03393	Stypandra imbricata	Stypandra imbricata	Others
BXGF04299	Cladrastis kentukea	Cladrastis kentukea	Others
BXGF05190	Ferula gummosa	Ferula gummosa	Medicinal Plant
BXGF05321	Dracaena ombet	Dracaena ombet	Others
BXGF05469	Pseudoxandra sclerocarpa	Pseudoxandra sclerocarpa	Others
BXGF05773	Myrica arborea	Myrica arborea	Others
BXGF06013	Iryanthera polyneura	Iryanthera polyneura	Others
BXGF06199	Polygala aureocauda	Polygala aureocauda	Others
BXGF06277	Vincetoxicum hirundinaria	Vincetoxicum hirundinaria	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}