Molecule ID: 159287

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

Description: The molecule is an anthocyanidin cation that is delphinidin carrying methyl substituents at positions 3' and 5'. It has a role as a biological pigment and a metabolite. It derives from a delphinidin. It is a conjugate acid of a malvidin(1-).

SMILES: COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)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][Ring1][O][C][=C][Ring2][Ring1][Branch1][O]

InChI: InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1

Molecular Properties:
- Polar Surface Area: 100.0 Ų
- LogP: nan