Molecule ID: 442424

IUPAC Name: methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Description: The molecule is an iridoid monoterpenoid. It has a role as an uncoupling protein inhibitor, a hepatotoxic agent, an apoptosis inhibitor, an antioxidant, an anti-inflammatory agent and a cross-linking reagent.

SMILES: COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=CC[C@H]12

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

InChI: InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: -0.7