Molecule ID: 5280695

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one

Description: The molecule is a monomethoxyflavone that is the 8-O-methyl derivative of gossypetin. It is a pentahydroxyflavone, a member of flavonols and a monomethoxyflavone. It derives from a gossypetin. It is a conjugate acid of a 3',4',5,7-pentahydroxy-8-methoxyflavon-3-olate.

SMILES: COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12

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

InChI: InChI=1S/C16H12O8/c1-23-15-10(20)5-9(19)11-12(21)13(22)14(24-16(11)15)6-2-3-7(17)8(18)4-6/h2-5,17-20,22H,1H3

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: 2.1