Molecule ID: 182259

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

Description: The molecule is a methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 4' and hydroxy groups at positions 7 and 2' respectively. It has a role as a plant metabolite. It is a member of hydroxyisoflavans and a methoxyisoflavan. It derives from a hydride of a (R)-isoflavan.

SMILES: COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(O)c1

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

InChI: InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m0/s1

Molecular Properties:
- Polar Surface Area: 58.9 Ų
- LogP: 2.9