Molecule ID: 442805

IUPAC Name: 4-(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol

Description: The molecule is a hydroxyisoflavan that is isoflavan substituted by hydroxy groups at positions 2' and 4' and methoxy groups at positions 5 and 7 respectively. It has a role as a plant metabolite. It is a methoxyisoflavan and a member of hydroxyisoflavans. It derives from an isoflavan.

SMILES: COc1cc(OC)c2c(c1)OCC(c1ccc(O)cc1O)C2

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

InChI: InChI=1S/C17H18O5/c1-20-12-7-16(21-2)14-5-10(9-22-17(14)8-12)13-4-3-11(18)6-15(13)19/h3-4,6-8,10,18-19H,5,9H2,1-2H3

Molecular Properties:
- Polar Surface Area: 68.2 Ų
- LogP: 2.9