Molecule ID: 131142768

IUPAC Name: (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid

Description: The molecule is a monocarboxylic acid that is propionic acid which is substituted at position 2 by a 4-methylcyclohex-3-en-1-yl group (the R,R stereoisomer). A secondary metabolite with antifungal activity obtained from the endophytic fungus Pestalotiopsis foedan, obtained from the branch of the upriver orange mangrove, Bruguiera sexangula. It has a role as an antifungal agent and a fungal metabolite. It is a monocarboxylic acid and a monoterpenoid.

SMILES: CC1=CC[C@H]([C@@H](C)C(=O)O)CC1

SELFIES: [C][C][=C][C][C@H1][Branch1][#Branch2][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Ring1][O]

InChI: InChI=1S/C10H16O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3,8-9H,4-6H2,1-2H3,(H,11,12)/t8-,9+/m1/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.2