Molecule ID: 25203449

IUPAC Name: (2R,3S)-2,5,7-trihydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

Description: The molecule is a hydroxyisoflavanone bearing three hydroxy substituents at positions 2, 5 and 7 in addition to a methoxy substituent at position 4'. It has a role as a plant metabolite. It is a hydroxyisoflavanone, a methoxyisoflavanone and a lactol.

SMILES: COc1ccc([C@@H]2C(=O)c3c(O)cc(O)cc3O[C@H]2O)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C@@H1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C@H1][Ring1][=N][O][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C16H14O6/c1-21-10-4-2-8(3-5-10)13-15(19)14-11(18)6-9(17)7-12(14)22-16(13)20/h2-7,13,16-18,20H,1H3/t13-,16-/m1/s1

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 2.4