Molecule ID: 92503

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

Description: The molecule is a member of the class of hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity. It has a role as an anti-inflammatory agent, a plant metabolite and a phytoalexin. It is an aromatic ether, a member of hydroxyisoflavans and a methoxyisoflavan.

SMILES: COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][C][C][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

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