Molecule ID: 5281679

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methylchromen-4-one

Description: The molecule is a pentahydroxyflavone that is quercetin substituted by a methyl group at position 6. It has a role as a plant metabolite and a metabolite. It is a pentahydroxyflavone and a 7-hydroxyflavonol. It derives from a quercetin.

SMILES: Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O

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

InChI: InChI=1S/C16H12O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)7-2-3-8(17)10(19)4-7/h2-5,17-20,22H,1H3

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: 2.5