Molecule ID: 50899863

IUPAC Name: (3S,4S)-3-(1,3-benzodioxole-5-carbonyl)-4-[(S)-1,3-benzodioxol-5-yl(hydroxy)methyl]oxolan-2-one

Description: The molecule is a lignan isolated from the leaves of Piper sanguineispicum. It has a role as a plant metabolite. It is a lignan, a gamma-lactone and a member of benzodioxoles.

SMILES: O=C1OC[C@@H]([C@H](O)c2ccc3c(c2)OCO3)[C@H]1C(=O)c1ccc2c(c1)OCO2

SELFIES: [O][=C][O][C][C@@H1][Branch2][Ring1][Ring2][C@H1][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@H1][Ring1][S][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]

InChI: InChI=1S/C20H16O8/c21-18(10-1-3-13-15(5-10)27-8-25-13)12-7-24-20(23)17(12)19(22)11-2-4-14-16(6-11)28-9-26-14/h1-6,12,17-18,21H,7-9H2/t12-,17+,18-/m1/s1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 2.2