Molecule ID: 70697828

IUPAC Name: [(2S,3S)-3-hepta-1,3,5-triynyloxiran-2-yl]methanol

Description: The molecule is an epoxide substituted at position 2 by a hydroxymethyl group and at position 3 by a hepta-1,3,5-triyn-1-yl group (the 2S,3S)-diastereomer. It is isolated from Trametes pubescens and exhibits antifungal properties. It has a role as a metabolite and an antifungal agent. It is an epoxide and a primary alcohol.

SMILES: CC#CC#CC#C[C@@H]1O[C@H]1CO

SELFIES: [C][C][#C][C][#C][C][#C][C@@H1][O][C@H1][Ring1][Ring1][C][O]

InChI: InChI=1S/C10H8O2/c1-2-3-4-5-6-7-9-10(8-11)12-9/h9-11H,8H2,1H3/t9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 32.8 Ų
- LogP: 0.7