Molecule ID: 122198242

IUPAC Name: (3Z)-3-[(2E,4E,6E)-1-hydroxydodeca-2,4,6-trienylidene]-5-(hydroxymethyl)pyrrolidine-2,4-dione

Description: The molecule is a member of the class of pyrrolidin-2-ones with formula C17H23NO4, originally isolated from Aspergillus niger. It has a role as an Aspergillus metabolite and a marine metabolite. It is a member of pyrrolidin-2-ones, an enol and a primary alcohol.

SMILES: CCCCC/C=C/C=C/C=C/C(O)=C1\C(=O)C(CO)N=C1O

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

InChI: InChI=1S/C17H23NO4/c1-2-3-4-5-6-7-8-9-10-11-14(20)15-16(21)13(12-19)18-17(15)22/h6-11,13,19-20H,2-5,12H2,1H3,(H,18,22)/b7-6+,9-8+,11-10+,15-14-

Molecular Properties:
- Polar Surface Area: 86.6 Ų
- LogP: 4.0