Molecule ID: 72551488

IUPAC Name: 5-[(2S,3S)-2-(4-hydroxyphenyl)-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

Description: The molecule is a stilbenoid that is the (2S,3S)-cis-stereoisomer of delta-viniferin, obtained by cyclodimerisation of cis-resveratrol. It is a member of 1-benzofurans, a polyphenol and a stilbenoid. It derives from a cis-resveratrol. It is an enantiomer of a (2R,3R)-cis-delta-viniferin.

SMILES: Oc1ccc(/C=C\c2ccc3c(c2)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1

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

InChI: InChI=1S/C28H22O5/c29-21-8-3-17(4-9-21)1-2-18-5-12-26-25(13-18)27(20-14-23(31)16-24(32)15-20)28(33-26)19-6-10-22(30)11-7-19/h1-16,27-32H/b2-1-/t27-,28+/m0/s1

Molecular Properties:
- Polar Surface Area: 90.2 Ų
- LogP: 5.8