Molecule ID: 54720038

IUPAC Name: 3-hydroxy-1,2-dimethyl-4-(5-methyltetradecanoyl)-2H-pyrrol-5-one

Description: The molecule is a member of the class of pyrrolidin-2-ones that is 1,5-dimethylpyrrolidine-2,4-dione substituted by a 1-hydroxy-5-methyltetradecylidene moiety at position 3. Isolated from the marine sponge Melophlus sarasinorum and other species of genus Melophlus, it exhibits cytotoxicity against murine leukemia cell line. It has a role as a metabolite and an antineoplastic agent. It is an enol and a member of pyrrolidin-2-ones.

SMILES: CCCCCCCCCC(C)CCCC(=O)C1=C(O)C(C)N(C)C1=O

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

InChI: InChI=1S/C21H37NO3/c1-5-6-7-8-9-10-11-13-16(2)14-12-15-18(23)19-20(24)17(3)22(4)21(19)25/h16-17,24H,5-15H2,1-4H3

Molecular Properties:
- Polar Surface Area: 57.6 Ų
- LogP: 6.5