Molecule ID: 441774

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

Description: The molecule is an anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3', 4', 5 and 7 as well as a methoxy substituent at position 5'. It has a role as a plant metabolite.

SMILES: COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O

SELFIES: [C][O][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][Branch1][C][O][=C][Ring2][Ring1][Ring2][O]

InChI: InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1

Molecular Properties:
- Polar Surface Area: 111.0 Ų
- LogP: nan