Melophlins; Melophlin C
AlkaPlorer ID: AK305493
Synonym: 3-(1-Hydroxy-5-methyldodecylidene)-1,5-dimethyl-2,4-pyrrolidinedione
IUPAC Name: 3-hydroxy-1,2-dimethyl-4-(5-methyldodecanoyl)-2H-pyrrol-5-one
Structure
SMILES: CCCCCCCC(C)CCC/C(O)=C1\C(=O)C(C)N(C)C1=O
InChI: InChI=1S/C19H33NO3/c1-5-6-7-8-9-11-14(2)12-10-13-16(21)17-18(22)15(3)20(4)19(17)23/h14-15,21H,5-13H2,1-4H3/b17-16-
InChIKey: IIUKADSRGRMDQJ-MSUUIHNZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Melophlus | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 323.47700000000003
TPSA？: 57.61
MolLogP？: 4.395000000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | IC50 | 36.6 | ug.mL-1 | 10.1021/np0202778 |
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np0202778 |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np0202778 |
| Homo sapiens | A498 | IC50 | 10000.0 | nM | 10.1016/j.bmc.2008.02.069 |
| Homo sapiens | HeLa | Activity | nan | None | 10.1021/np0202778 |
| Homo sapiens | HeLa | IC50 | 10000.0 | nM | 10.1016/j.bmc.2008.02.069 |
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 14600.0 | nM | 10.1016/j.bmcl.2016.12.077 |
| Homo sapiens | TF-1 | Activity | nan | None | 10.1021/np0202778 |
| Mus musculus | L929 | IC50 | 10000.0 | nM | 10.1016/j.bmc.2008.02.069 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np0202778 |
| None | NON-PROTEIN TARGET | IC50 | 10000.0 | nM | 10.1016/j.bmc.2008.02.069 |