Molecule ID: 10024043

IUPAC Name: (E)-3-[(2R,3S)-3-(hydroxymethyl)-7-methoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-ol

Description: The molecule is a neolignan isolated from the stems of Sinocalamus affinis. It has a role as a plant metabolite. It is a member of benzofurans, a neolignan, a primary alcohol and a member of methoxybenzenes.

SMILES: COc1cc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2CO)cc(OC)c1OC

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

InChI: InChI=1S/C22H26O7/c1-25-17-9-13(6-5-7-23)8-15-16(12-24)20(29-21(15)17)14-10-18(26-2)22(28-4)19(11-14)27-3/h5-6,8-11,16,20,23-24H,7,12H2,1-4H3/b6-5+/t16-,20+/m1/s1

Molecular Properties:
- Polar Surface Area: 86.6 Ų
- LogP: 2.2