None
AlkaPlorer ID: AK324826
Synonym: None
IUPAC Name: 17-oxoheptadeca-6,8,10-triynenitrile
Structure
SMILES: N#CCCCCC#CC#CC#CCCCCCC=O
InChI: InChI=1S/C17H19NO/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h17H,7-15H2
InChIKey: ICEBSFZQPYXLHJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycale sp. | Mycale | Mycalidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 253.3449999999999
TPSA？: 40.86
MolLogP？: 3.229980000000002
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus spizizenii | Bacillus spizizenii | MIC | 400000.0 | nM | 10.1021/acs.jnatprod.9b00840 |
| Candida albicans | Candida albicans | MIC | 400000.0 | nM | 10.1021/acs.jnatprod.9b00840 |
| Escherichia coli | Escherichia coli | MIC | 400000.0 | nM | 10.1021/acs.jnatprod.9b00840 |
| Giardia intestinalis | Giardia intestinalis | MIC | 400000.0 | nM | 10.1021/acs.jnatprod.9b00840 |
| Homo sapiens | NFF | MIC | 50000.0 | nM | 10.1021/acs.jnatprod.9b00840 |
| Tritrichomonas foetus | Tritrichomonas foetus | MIC | 200000.0 | nM | 10.1021/acs.jnatprod.9b00840 |
| None | Unchecked | MIC | 100000.0 | nM | 10.1021/acs.jnatprod.9b00840 |