Molecule ID: 25208516

IUPAC Name: 5-[(1S)-1-ethoxy-2-(4-hydroxyphenyl)ethyl]-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', a methoxy group at position 5 and an ethoxy group at alpha-position (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 member of catechols, a diphenylethane and a member of methoxybenzenes. It derives from a hydride of a 1,2-dihydrostilbene.

SMILES: CCO[C@@H](Cc1ccc(O)cc1)c1cc(O)c(O)c(OC)c1

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

InChI: InChI=1S/C17H20O5/c1-3-22-15(8-11-4-6-13(18)7-5-11)12-9-14(19)17(20)16(10-12)21-2/h4-7,9-10,15,18-20H,3,8H2,1-2H3/t15-/m0/s1

Molecular Properties:
- Polar Surface Area: 79.2 Ų
- LogP: 2.8