Molecule ID: 25208515

IUPAC Name: 5-[2-(3,4-dihydroxyphenyl)ethyl]-3-methoxybenzene-1,2-diol

Description: The molecule is a diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 3', 4 and 4' and a methoxy group at position 5. 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 member of catechols, a diphenylethane and a member of methoxybenzenes. It derives from a hydride of a 1,2-dihydrostilbene.

SMILES: COc1cc(CCc2ccc(O)c(O)c2)cc(O)c1O

SELFIES: [C][O][C][=C][C][Branch1][P][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][C][Branch1][C][O][=C][Ring1][P][O]

InChI: InChI=1S/C15H16O5/c1-20-14-8-10(7-13(18)15(14)19)3-2-9-4-5-11(16)12(17)6-9/h4-8,16-19H,2-3H2,1H3

Molecular Properties:
- Polar Surface Area: 90.2 Ų
- LogP: 2.7