Molecule ID: 10428459

IUPAC Name: 5-hydroxy-7-methoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one

Description: The molecule is a monohydroxyflavone that is flavone with a hydroxy substituent at position 5 and methoxy groups at positions 7, 2', 4' and 5'. Isolated from Calliandra californica, it exhibits antibacterial activity. It has a role as a metabolite and an antibacterial agent. It is a monohydroxyflavone and a tetramethoxyflavone.

SMILES: COc1cc(O)c2c(=O)cc(-c3cc(OC)c(OC)cc3OC)oc2c1

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

InChI: InChI=1S/C19H18O7/c1-22-10-5-12(20)19-13(21)8-15(26-18(19)6-10)11-7-16(24-3)17(25-4)9-14(11)23-2/h5-9,20H,1-4H3

Molecular Properties:
- Polar Surface Area: 83.4 Ų
- LogP: 3.3