Molecule ID: 442154

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

Description: The molecule is a tetrahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4' respectively. It has a role as a plant metabolite and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a tetrahydroxyflavan and a catechin. It derives from a hydride of a (2S)-flavan.

SMILES: Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1

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

InChI: InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 90.2 Ų
- LogP: 0.7