Molecule ID: 442811

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

Description: The molecule is a methoxyisoflavan that is (S)-isoflavan substituted by methoxy groups at positions 2' and 4' and hydroxy groups at positions 7 and 3' respectively. It has a role as an antineoplastic agent and a plant metabolite. It is a methoxyisoflavan and a member of hydroxyisoflavans. It derives from a (S)-isoflavan.

SMILES: COc1ccc([C@H]2COc3cc(O)ccc3C2)c(OC)c1O

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][O]

InChI: InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3/t11-/m1/s1

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