Molecule ID: 162412

IUPAC Name: 6-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol

Description: The molecule is a member of the class of hydroxyisoflavans that is (3R)-3,4-dihydro-2H,2'H-3,6'-bichromene substituted by two methyl groups at positions 2' and 2' and hydroxy groups at positions 5' and 7 respectively. It has a role as a plant metabolite.

SMILES: CC1(C)C=Cc2c(ccc([C@@H]3COc4cc(O)ccc4C3)c2O)O1

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

InChI: InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 58.9 Ų
- LogP: 3.9