Montiporyne E
AlkaPlorer ID: AK033042
Synonym: 1,5,6,7-Tetrahydro-4-(1,3-undecadiynyl)-2H-azepin-2-one
IUPAC Name: 5-undeca-1,3-diynyl-1,2,3,4-tetrahydroazepin-7-one
Structure
SMILES: CCCCCCCC#CC#CC1=CC(O)=NCCC1
InChI: InChI=1S/C17H23NO/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-14-18-17(19)15-16/h15H,2-7,11,13-14H2,1H3,(H,18,19)
InChIKey: OBLFKWWWBVRLNJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Montipora sp. | Montipora | Acroporidae | Scleractinia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 257.37699999999995
TPSA？: 32.59
MolLogP？: 4.030400000000003
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | ED50 | 50.0 | ug ml-1 | 10.1021/np0002076 |
| Homo sapiens | HCT-15 | ED50 | 50.0 | ug ml-1 | 10.1021/np0002076 |
| Homo sapiens | SK-MEL-2 | ED50 | 50.0 | ug ml-1 | 10.1021/np0002076 |
| Homo sapiens | SK-OV-3 | ED50 | 50.0 | ug ml-1 | 10.1021/np0002076 |
| Homo sapiens | XF498 | ED50 | 50.0 | ug ml-1 | 10.1021/np0002076 |