Molecule ID: 53493727

IUPAC Name: 6-(3,5-dimethyl-2-phenylphenyl)-4-methoxypyran-2-one

Description: The molecule is a member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 4,6-dimethylbiphenyl-2-yl group at position 6. It has been isolated from an endophytic fungus, Aspergillus niger. It has a role as an Aspergillus metabolite. It is a member of 2-pyranones and a ring assembly.

SMILES: COc1cc(-c2cc(C)cc(C)c2-c2ccccc2)oc(=O)c1

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

InChI: InChI=1S/C20H18O3/c1-13-9-14(2)20(15-7-5-4-6-8-15)17(10-13)18-11-16(22-3)12-19(21)23-18/h4-12H,1-3H3

Molecular Properties:
- Polar Surface Area: 35.5 Ų
- LogP: 4.5