Molecule ID: 440832

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

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

SMILES: Oc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1

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

InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1

Molecular Properties:
- Polar Surface Area: 81.9 Ų
- LogP: nan