Molecule ID: 442358

IUPAC Name: (2S)-2-(3-hydroxy-4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol

Description: The molecule is a hydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 7 and 3', a methoxy group at position 4' and a methyl group at position 8. It has a role as a plant metabolite. It is a hydroxyflavan and a methoxyflavan. It derives from a hydride of a (2S)-flavan.

SMILES: COc1ccc([C@@H]2CCc3ccc(O)c(C)c3O2)cc1O

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

InChI: InChI=1S/C17H18O4/c1-10-13(18)6-3-11-4-7-15(21-17(10)11)12-5-8-16(20-2)14(19)9-12/h3,5-6,8-9,15,18-19H,4,7H2,1-2H3/t15-/m0/s1

Molecular Properties:
- Polar Surface Area: 58.9 Ų
- LogP: 3.4