Molecule ID: 441658

IUPAC Name: 2-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxychromenylium-3,7-diol

Description: The molecule is an anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 7, a methoxy group at position 5 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2 respectively. It has a role as a plant metabolite.

SMILES: COc1cc(-c2oc3cc(O)cc(=[O+]C)c-3cc2O)cc(OC)c1O

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

InChI: InChI=1S/C18H16O7/c1-22-13-6-10(19)7-14-11(13)8-12(20)18(25-14)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1

Molecular Properties:
- Polar Surface Area: 89.4 Ų
- LogP: nan