Molecule ID: 164544

IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)chromenylium-3,5,7-triol;chloride

Description: The molecule is an anthocyanidin chloride that has peonidin as the cationic component. It has a role as a metabolite, an antineoplastic agent, an apoptosis inducer and an antioxidant. It contains a peonidin.

SMILES: COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2[O-])ccc1O.Cl

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-1][=C][C][=C][Ring2][Ring1][Ring1][O].[Cl]

InChI: InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H

Molecular Properties:
- Polar Surface Area: 91.2 Ų
- LogP: nan