Molecule ID: 128853

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

Description: The molecule is an anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment responsible for the colours of the plants of the genera Viola and Delphinium. It has a role as an antineoplastic agent, a biological pigment and a plant metabolite. It is a conjugate acid of a delphinidin(1-).

SMILES: Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1

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

InChI: InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: nan