Molecule ID: 50908725

IUPAC Name: [(S)-[(3R,4S)-4-(1,3-benzodioxole-5-carbonyl)-5-oxooxolan-3-yl]-(3,4-dimethoxyphenyl)methyl] acetate

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: COc1ccc([C@@H](OC(C)=O)[C@H]2COC(=O)[C@@H]2C(=O)c2ccc3c(c2)OCO3)cc1OC

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

InChI: InChI=1S/C23H22O9/c1-12(24)32-22(14-5-6-16(27-2)18(9-14)28-3)15-10-29-23(26)20(15)21(25)13-4-7-17-19(8-13)31-11-30-17/h4-9,15,20,22H,10-11H2,1-3H3/t15-,20-,22+/m0/s1

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 2.9