Melophlins; Melophlin I
AlkaPlorer ID: AK305490
Synonym: 3-(1-Hydroxy-12-methyltetradecylidene)-1-methyl-2,4-pyrrolidinedione
IUPAC Name: (3Z)-3-(1-hydroxy-12-methyltetradecylidene)-1-methylpyrrolidine-2,4-dione
Structure
SMILES: CCC(C)CCCCCCCCCC/C(O)=C1\C(=O)CN(C)C1=O
InChI: InChI=1S/C20H35NO3/c1-4-16(2)13-11-9-7-5-6-8-10-12-14-17(22)19-18(23)15-21(3)20(19)24/h16,22H,4-15H2,1-3H3/b19-17-
InChIKey: RHBKMLLQJHQQDJ-ZPHPHTNESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Melophlus | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 337.5040000000001
TPSA？: 57.61
MolLogP？: 4.786700000000004
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 | 52.6 | ug.mL-1 | 10.1021/np0202778 |
| Homo sapiens | HeLa | Activity | nan | None | 10.1021/np0202778 |
| Homo sapiens | TF-1 | Activity | nan | None | 10.1021/np0202778 |