Molecule ID: 170570

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

Description: The molecule is a methoxyisoflavan that is (R)-isoflavan substituted by methoxy groups at positions 2' and 4' and a hydroxy group at position 7. 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(OC)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][Ring1][O][C][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1

Molecular Properties:
- Polar Surface Area: 47.9 Ų
- LogP: 3.3