Molecule ID: 46913217

IUPAC Name: (3E)-3-[methoxy(phenyl)methylidene]-1H-indol-2-one

Description: The molecule is an indole alkaloid that is 1,3-dihydro-2H-indol-2-one substituted by a methoxy(phenyl)methylidene group at position 3 (the 3E stereoisomer). Isolated from Isatis costata, it exhibits antifungal activity. It has a role as a metabolite and an antifungal agent. It is an indole alkaloid, a member of indolones and an enol ether.

SMILES: CO/C(=C1/C(O)=Nc2ccccc21)c1ccccc1

SELFIES: [C][O][/C][=Branch1][P][=C][/C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C16H13NO2/c1-19-15(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)17-16(14)18/h2-10H,1H3,(H,17,18)/b15-14+

Molecular Properties:
- Polar Surface Area: 38.3 Ų
- LogP: 2.7