(S)-N-dodecanoyl-HSL
AlkaPlorer ID: AK046602
Synonym: None
IUPAC Name: N-[(3S)-2-oxooxolan-3-yl]dodecanamide
Structure
SMILES: CCCCCCCCCCCC(O)=N[C@H]1CCOC1=O
InChI: InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)/t14-/m0/s1
InChIKey: WILLZMOKUUPJSL-AWEZNQCLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus cereus | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 283.412
TPSA？: 58.89000000000001
MolLogP？: 4.179300000000002
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aliivibrio fischeri | Transcriptional activator protein luxR | EC50 | nan | None | 10.1021/jm901742e |
| Mus musculus | Mus musculus | IC50 | 52000.0 | nM | 10.1021/jm020909n |
| Mus musculus | P388 | Activity | 91.1 | % | 10.1016/j.bmcl.2006.01.054 |
| Pseudomonas aeruginosa | PhzR | EC50 | 5.0 | nM | 10.1016/j.bmcl.2007.11.095 |
| Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | Transcriptional activator protein lasR | EC50 | 33.0 | nM | 10.1021/jm901742e |
| Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | Transcriptional activator protein lasR | EC50 | 40.0 | nM | 10.1021/jm901742e |
| Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | Transcriptional activator protein lasR | IC50 | 40.0 | nM | 10.1016/j.bmc.2011.07.044 |
| Staphylococcus aureus | Staphylococcus aureus | GI | nan | None | 10.1021/jm500215s |
| None | Unchecked | Inhibition | nan | % | 10.1021/jm500215s |