Molecule ID: 443638

IUPAC Name: (2S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol

Description: The molecule is a tetrahydroxyflavan in which the four hydroxy substituents are located at positions 4, 4', 5 and 7. It has a role as a metabolite.

SMILES: Oc1ccc([C@@H]2CC(O)c3c(O)cc(O)cc3O2)cc1

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

InChI: InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2/t12?,13-/m0/s1

Molecular Properties:
- Polar Surface Area: 90.2 Ų
- LogP: 1.6