Molecule ID: 53359707

IUPAC Name: 4-[(2R,3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol

Description: The molecule is a lignan that is 3,4-dimethyloxolane substituted by a 2-methoxyphenol group at position 5 and a 2,6-dimethoxyphenol group at 2. It has been isolated from the bark of Machilus robusta. It has a role as a plant metabolite. It is a lignan, a dimethoxybenzene, a member of phenols and a member of oxolanes.

SMILES: COc1cc([C@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O

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

InChI: InChI=1S/C21H26O6/c1-11-12(2)21(14-9-17(25-4)19(23)18(10-14)26-5)27-20(11)13-6-7-15(22)16(8-13)24-3/h6-12,20-23H,1-5H3/t11-,12+,20-,21+/m0/s1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 3.7