Molecule ID: 128861

IUPAC Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol

Description: The molecule is an anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups. It has a role as a metabolite, a neuroprotective agent and an antioxidant. It is a conjugate acid of a cyanidin(1-).

SMILES: Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1

SELFIES: [O][C][=C][C][Branch1][C][O][=C][C][=C][Branch1][C][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=O+1][C][Ring1][#C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: nan