Molecule ID: 77016

IUPAC Name: 3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid

Description: The molecule is a member of the class of flavones that is flavone substituted at position 3 by a methyl group and at position 8 by a carboxylic acid group. It has a role as an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor. It is a member of flavones and an oxo monocarboxylic acid.

SMILES: Cc1c(-c2ccccc2)oc2c(C(=O)O)cccc2c1=O

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

InChI: InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 3.4