Molecule ID: 53359576

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

Description: The molecule is a lignan that is 2,3-diemthylbutane substituted by a 4-hydroxy-3-methoxyphenyl group at position 4 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 1. It has been isolated from the bark of Machilus robusta. It has a role as a plant metabolite. It is a dimethoxybenzene, a member of phenols and a lignan.

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

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

InChI: InChI=1S/C21H28O5/c1-13(8-15-6-7-17(22)18(10-15)24-3)14(2)9-16-11-19(25-4)21(23)20(12-16)26-5/h6-7,10-14,22-23H,8-9H2,1-5H3/t13-,14+/m0/s1

Molecular Properties:
- Polar Surface Area: 68.2 Ų
- LogP: 4.9