Molecule ID: 643542

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

Description: The molecule is a tetrahydroxyflavan in which the four hydroxy groups are located at positions 3', 4', 5 and 7. It has a role as a plant metabolite. It derives from a hydride of a (2S)-flavan.

SMILES: Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2

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

InChI: InChI=1S/C15H14O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1,3,5-7,14,16-19H,2,4H2/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 90.2 Ų
- LogP: 1.3