Molecule ID: 134692094

IUPAC Name: 5-hydroxy-8-methoxy-4-phenyl-2H-isoquinolin-1-one

Description: The molecule is an isoquinolinol that is 5-hydroxyisoquinolin-1(2H)-one which has been substituted at positions 4 and 8 by phenyl and methoxy groups, repectively. Isolated from the fermentation of an endophytic fungus Penicillium sp. R22 in Nerium indicum. It displayed weak antibacterial activity. It has a role as an antifungal agent and a fungal metabolite. It is an isoquinolinol and an aromatic ether.

SMILES: COc1ccc(O)c2c(-c3ccccc3)cnc(O)c12

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

InChI: InChI=1S/C16H13NO3/c1-20-13-8-7-12(18)14-11(9-17-16(19)15(13)14)10-5-3-2-4-6-10/h2-9,18H,1H3,(H,17,19)

Molecular Properties:
- Polar Surface Area: 58.6 Ų
- LogP: 2.1