Molecule ID: 53356206

IUPAC Name: (1S,10S,18S)-18-(hydroxymethyl)-3,5,14,16-tetramethoxy-8-oxatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,14,16-hexaene-4,15-diol

Description: The molecule is a lignan isolated from the stems of Sinocalamus affinis. It has a role as a plant metabolite. It is a lignan, an aromatic ether, a primary alcohol and a polyphenol.

SMILES: COc1cc2c(c(OC)c1O)[C@H]1c3c(cc(OC)c(O)c3OC)OC[C@@H](C2)[C@H]1CO

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

InChI: InChI=1S/C22H26O8/c1-26-14-6-10-5-11-9-30-13-7-15(27-2)20(25)22(29-4)18(13)17(12(11)8-23)16(10)21(28-3)19(14)24/h6-7,11-12,17,23-25H,5,8-9H2,1-4H3/t11-,12-,17+/m1/s1

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 2.4