Molecule ID: 25208514

IUPAC Name: 5-[(1S)-2-(4-hydroxyphenyl)-1-methoxyethyl]-3-methoxybenzene-1,2-diol

Description: The molecule is a diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 4 and 4' and methoxy groups at C-5 and alpha-position respectively (the S stereoisomer). It is isolated from the stems of Dendrobium candidum and exhibits antioxidant activity. It has a role as a metabolite and a radical scavenger. It is a diphenylethane, a member of catechols and a member of methoxybenzenes. It derives from a hydride of a 1,2-dihydrostilbene.

SMILES: COc1cc([C@H](Cc2ccc(O)cc2)OC)cc(O)c1O

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

InChI: InChI=1S/C16H18O5/c1-20-14(7-10-3-5-12(17)6-4-10)11-8-13(18)16(19)15(9-11)21-2/h3-6,8-9,14,17-19H,7H2,1-2H3/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 79.2 Ų
- LogP: 2.5