Molecule ID: 5280442

IUPAC Name: 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

Description: The molecule is a monomethoxyflavone that is the 4'-methyl ether derivative of apigenin. It has a role as an anticonvulsant and a plant metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It derives from an apigenin. It is a conjugate acid of a 5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate.

SMILES: COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1

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

InChI: InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 2.1