Molecule ID: 44584408

IUPAC Name: (9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoic acid

Description: The molecule is a trienoic fatty acid, that is octadecanoic acid containing double bonds at positions 9, 12 and 15 and a triple bond at position 6. Isolated from Dicranum scoparium, it exhibits antibacterial activity and inhibitory activity against arachidonate 15-lipoxygenase. It has a role as a metabolite, an antibacterial agent and an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor. It is an acetylenic fatty acid, a long-chain fatty acid, a straight-chain fatty acid and a trienoic fatty acid.

SMILES: CC/C=C\C/C=C\C/C=C\CC#CCCCCC(=O)O

SELFIES: [C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][#C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 5.0