acompound

Showing entry for Docosenic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002824
Compound Name	Docosenic acid
Structure
Formula	C22H42O2
InchiKey	ATNNLHXCRAAGJS-QZQOTICOSA-N
SMILES	[H]\C(CCCCCCCCCCCCCCCCCCC)=C(\[H])C(O)=O
Inchi	InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h20-21H,2-19H2,1H3,(H,23,24)/b21-20+
IUPAC	(2E)-docos-2-enoic acid
Molecular Weight	338.58
Pubchem Id	6433893
Chembl Id	CHEMBL4284416

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
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	40	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	IC50	'='	11720	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	13	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00016	Peanut	Arachis hypogaea	Nuts
BXGF02444	Valeriana officinalis	Valeriana officinalis	Medicinal Plant
BXGF04309	Pteris multifida	Pteris multifida	Medicinal Plant
BXGF04361	Cynomorium songaricum	Cynomorium songaricum	Medicinal Plant
BXGF05162	Melia indica	Melia indica	Medicinal Plant
BXGF05504	Silybum marianum	Silybum marianum	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}