Molecule ID: 11594149

IUPAC Name: heptadec-16-en-12-ynoic acid

Description: The molecule is a straight-chain fatty acid that is heptadecanoic acid with a terminal double bond and a triple bond at position 12. Isolated from the twigs of Scleropyrum wallichianum, it exhibits antimycobacterial and antiplasmodial activities. It has a role as a metabolite, an antiplasmodial drug and an antimycobacterial drug. It is an acetylenic fatty acid, a long-chain fatty acid and a straight-chain fatty acid.

SMILES: C=CCCC#CCCCCCCCCCCC(=O)O

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

InChI: InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2H,1,3-4,7-16H2,(H,18,19)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 6.0