Molecule ID: 10955962

IUPAC Name: (3S,3aR,6aR)-3-(4-hydroxy-3-methoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one

Description: The molecule is a lignan that is tetrahydro-1H,3H-furo[3,4-c]furan-1-one carrying a 4-hydroxy-3-methoxyphenyl substituent at position 4. It has a role as a plant metabolite. It is a lignan, a gamma-lactone, a furofuran and a member of guaiacols.

SMILES: COc1cc([C@H]2OC[C@@H]3C(=O)OC[C@@H]32)ccc1O

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

InChI: InChI=1S/C13H14O5/c1-16-11-4-7(2-3-10(11)14)12-8-5-18-13(15)9(8)6-17-12/h2-4,8-9,12,14H,5-6H2,1H3/t8-,9-,12+/m0/s1

Molecular Properties:
- Polar Surface Area: 65.0 Ų
- LogP: 0.9