Molecule

2,4,8,10,14-Octadecapentaen-12-ynoic acid; (2E,4E,8E,10Z,14Z)-form, 2-Methylpropylamide

AlkaPlorer ID: AK308411

Synonym: None

IUPAC Name: (2E,4E,8E,10Z,14Z)-N-(2-methylpropyl)octadeca-2,4,8,10,14-pentaen-12-ynamide

Structure

SMILES: CCC/C=C\C#C/C=C\C=C\CC/C=C/C=C/C(O)=NCC(C)C

InChI: InChI=1S/C22H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h6-7,10-13,16-19,21H,4-5,14-15,20H2,1-3H3,(H,23,24)/b7-6-,11-10-,13-12+,17-16+,19-18+

InChIKey: UZBWCKBPXRODJT-UFDOCAHHSA-N

Reference

Polyacetylenverbindungen, 269 Neue <i>NS</i>‐Isobutylamide aus <i>Heliopsis</i>‐Arten

PubChem CID: 118707905

CAS: 86926-67-2

LOTUS: LTS0047802

NPASS: NPC119655

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Gracilaria edulis	Gracilaria	Gracilariaceae	Gracilariales	Florideophyceae	Rhodophyta	None	Eukaryota
Neobeguea mahafalensis	Neobeguea	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heliopsis buphthalmoides	Heliopsis	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Smyrnium olusatrum	Smyrnium	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Microbulbifer variabilis	Microbulbifer	Microbulbiferaceae	Cellvibrionales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Emiliania huxleyi	Emiliania	Noelaerhabdaceae	Isochrysidales	None	Haptophyta	None	Eukaryota
Siphocampylus macropodus	Siphocampylus	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Montanoa leucantha	Montanoa	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia boetica	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Kielmeyera pumila	Kielmeyera	Calophyllaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lepidium meyenii	Lepidium	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heliopsis helianthoides	Heliopsis	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 325.4960000000001

TPSA？: 32.59

MolLogP？: 5.963600000000007

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Anandamide amidohydrolase	Efficacy	84.0	%	10.1021/np500292g
Homo sapiens	Anandamide amidohydrolase	IC50	17780.0	nM	10.1021/np500292g
Homo sapiens	Cannabinoid CB1 receptor	Ki	8600.0	nM	10.1021/np500292g
Homo sapiens	Cannabinoid CB2 receptor	Ki	9180.0	nM	10.1021/np500292g
Homo sapiens	U-937	Efficacy	75.0	%	10.1021/np500292g
Homo sapiens	U-937	IC50	2450.0	nM	10.1021/np500292g
Mus musculus	Monoglyceride lipase	IC50	100000.0	nM	10.1021/np500292g