Molecule ID: 53359464

IUPAC Name: (6R,7S,8S)-8-[4-[(1S,2R)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

Description: The molecule is a neolignan isolated from the barks of Machilus robusta. It has a role as a plant metabolite. It is a neolignan and a member of guaiacols.

SMILES: COc1cc([C@H](O)[C@@H](C)Oc2ccc([C@H]3c4cc(O)c(OC)cc4C[C@@H](C)[C@@H]3C)cc2OC)ccc1O

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

InChI: InChI=1S/C30H36O7/c1-16-11-21-14-27(35-5)24(32)15-22(21)29(17(16)2)19-8-10-25(28(12-19)36-6)37-18(3)30(33)20-7-9-23(31)26(13-20)34-4/h7-10,12-18,29-33H,11H2,1-6H3/t16-,17+,18-,29+,30-/m1/s1

Molecular Properties:
- Polar Surface Area: 97.6 Ų
- LogP: 5.7