Molecule ID: 122198243

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

Description: The molecule is a member of the class of pyrrolidin-2-ones with formula C18H25NO4, 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(C)C1=O

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][Branch1][C][C][C][Ring1][=Branch2][=O]

InChI: InChI=1S/C18H25NO4/c1-3-4-5-6-7-8-9-10-11-12-15(21)16-17(22)14(13-20)19(2)18(16)23/h7-12,14,20-21H,3-6,13H2,1-2H3/b8-7+,10-9+,12-11+,16-15-

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 4.2