N-heptanoyl homoserine lactone
AlkaPlorer ID: AK031752
Synonym: None
IUPAC Name: N-[(3S)-2-oxooxolan-3-yl]heptanamide
Structure
SMILES: CCCCCCC(O)=N[C@H]1CCOC1=O
InChI: InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKey: FTMZLSDESAOPSZ-VIFPVBQESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus cereus | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 213.277
TPSA？: 58.89000000000001
MolLogP？: 2.228800000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Agrobacterium tumefaciens | Transcriptional activator protein traR | IC50 | 130.0 | nM | 10.1016/j.ejmech.2009.11.004 |
| Agrobacterium tumefaciens | Transcriptional activator protein traR | IC50 | 690.0 | nM | 10.1021/jm901742e |
| Aliivibrio fischeri | Transcriptional activator protein luxR | IC50 | 1360.0 | nM | 10.1021/jm901742e |
| Aliivibrio fischeri | Transcriptional activator protein luxR | IC50 | 1400.0 | nM | 10.1016/j.bmc.2019.115282 |
| Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | Transcriptional activator protein lasR | IC50 | 51500.0 | nM | 10.1016/j.ejmech.2009.11.004 |
| Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | Transcriptional activator protein lasR | IC50 | 100000.0 | nM | 10.1016/j.bmc.2019.115282 |
| Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | Transcriptional activator protein lasR | IC50 | nan | None | 10.1021/jm901742e |
| None | Unchecked | IC50 | 2800.0 | nM | 10.1016/j.bmc.2019.115282 |