Molecule ID: 441777

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

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

SMILES: COc1cc(-c2oc3cc(=[O+]C)cc(O)c-3cc2O)ccc1O

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

InChI: InChI=1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1

Molecular Properties:
- Polar Surface Area: 80.2 Ų
- LogP: nan