Molecule ID: 53344594

IUPAC Name: 4-[(2S,3R)-4-[4-[(1S,2R)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutyl]-2-methoxyphenol

Description: The molecule is a neolignan isolated from the bark of Machilus robusta. It has a role as a plant metabolite. It is a neolignan, a member of phenols and a dimethoxybenzene.

SMILES: COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(O[C@H](C)[C@@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O

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

InChI: InChI=1S/C31H40O8/c1-18(12-21-8-10-24(32)26(14-21)35-4)19(2)13-22-15-28(37-6)31(29(16-22)38-7)39-20(3)30(34)23-9-11-25(33)27(17-23)36-5/h8-11,14-20,30,32-34H,12-13H2,1-7H3/t18-,19+,20+,30+/m0/s1

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 6.1