Molecule ID: 9860619

IUPAC Name: (Z)-14-(furan-2-yl)tetradec-9-en-11,13-diynoic acid

Description: The molecule is a polyunsaturated fatty acid that is tetradec-9-ene-11,13-diynoic acid in which the terminal acetylenic hydrogen is replaced by a 2-furyl group. Shows potent and broad-spectrum activity in vitro against Candida, Aspergillus, and Trichophyton spp., It has a role as an antifungal agent and a plant metabolite. It is a member of furans, a polyunsaturated fatty acid, an acetylenic fatty acid and an olefinic fatty acid.

SMILES: O=C(O)CCCCCCC/C=C\C#CC#Cc1ccco1

SELFIES: [O][=C][Branch1][C][O][C][C][C][C][C][C][C][/C][=C][\C][#C][C][#C][C][=C][C][=C][O][Ring1][Branch1]

InChI: InChI=1S/C18H20O3/c19-18(20)15-11-9-7-5-3-1-2-4-6-8-10-13-17-14-12-16-21-17/h2,4,12,14,16H,1,3,5,7,9,11,15H2,(H,19,20)/b4-2-

Molecular Properties:
- Polar Surface Area: 50.4 Ų
- LogP: 4.7