Molecule ID: 5322076

IUPAC Name: 5,7-dihydroxy-2-(2-hydroxyphenyl)-6-methoxychromen-4-one

Description: The molecule is a trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 2' and a methoxy group at position 6. It has been isolated from the roots of Rubia yunnanensis. It has a role as a plant metabolite. It is a trihydroxyflavone and a monomethoxyflavone. It derives from a flavone.

SMILES: COc1c(O)cc2oc(-c3ccccc3O)cc(=O)c2c1O

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

InChI: InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-4-2-3-5-9(8)17/h2-7,17,19-20H,1H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 2.6