Molecule ID: 122198246

IUPAC Name: 3-hydroxy-7-methyl-2-[(1E,3E)-nona-1,3-dienyl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione

Description: The molecule is a member of the class of pyranopyrroles with formula C17H21NO4, originally isolated from Aspergillus niger. It has a role as an Aspergillus metabolite and a marine metabolite. It is a gamma-lactam, an enol, a pyranopyrrole and a cyclic ketone.

SMILES: CCCCC/C=C/C=C/c1oc2c(c(=O)c1O)C(O)=NC2C

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

InChI: InChI=1S/C17H21NO4/c1-3-4-5-6-7-8-9-10-12-14(19)15(20)13-16(22-12)11(2)18-17(13)21/h7-11,19H,3-6H2,1-2H3,(H,18,21)/b8-7+,10-9+

Molecular Properties:
- Polar Surface Area: 75.6 Ų
- LogP: 3.2