Molecule ID: 44566585

IUPAC Name: (2R,3R)-1-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butane-1,4-diol

Description: The molecule is a polyphenol that is (-)-secoisolariciresinol carrying an additional hydroxy substituent at position 7. It is a polyphenol, a member of methoxybenzenes, a triol and a lignan. It derives from a (-)-secoisolariciresinol.

SMILES: COc1cc(C[C@@H](CO)[C@H](CO)C(O)c2ccc(O)c(OC)c2)ccc1O

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

InChI: InChI=1S/C20H26O7/c1-26-18-8-12(3-5-16(18)23)7-14(10-21)15(11-22)20(25)13-4-6-17(24)19(9-13)27-2/h3-6,8-9,14-15,20-25H,7,10-11H2,1-2H3/t14-,15-,20?/m0/s1

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 1.4