Molecule ID: 53356207

IUPAC Name: (1S,2S)-2-(4-hydroxy-2,6-dimethoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

Description: The molecule is a lignan that consists of propane-1,3-diol substituted by a 4-hydroxy-3-methoxyphenyl substituent at position 1 and a 4-hydroxy-2,6-dimethoxyphenoxy substituent at position 2. It has been isolated from the stems of Sinocalamus affinis. It has a role as a plant metabolite. It is a member of phenols, a primary alcohol, a dimethoxybenzene, a secondary alcohol and a lignan.

SMILES: COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(O)cc2OC)ccc1O

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

InChI: InChI=1S/C18H22O8/c1-23-13-6-10(4-5-12(13)21)17(22)16(9-19)26-18-14(24-2)7-11(20)8-15(18)25-3/h4-8,16-17,19-22H,9H2,1-3H3/t16-,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 1.3