(4E)-5-hydroxy-4-(1-hydroxydecylidene)-2-(2-hydroxyethyl)-3,4-dihydro-2H-pyrrol-3-one
AlkaPlorer ID: AK134509
Synonym: None
IUPAC Name: (2S)-4-decanoyl-3-hydroxy-2-(2-hydroxyethyl)-1,2-dihydropyrrol-5-one
Structure
SMILES: CCCCCCCCC/C(O)=C1\C(=O)[C@H](CCO)N=C1O
InChI: InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(19)14-15(20)12(10-11-18)17-16(14)21/h12,18-19H,2-11H2,1H3,(H,17,21)/b14-13-/t12-/m0/s1
InChIKey: OSWGMRUTKTWVOY-JOLOJFPGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas aeruginosa | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 297.395
TPSA？: 90.12
MolLogP？: 3.2294000000000014
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Clostridioides difficile | Clostridioides difficile | Activity | nan | None | 10.1128/aac.00702-09 |
| Clostridioides difficile | Clostridioides difficile | Drug uptake | nan | None | 10.1128/aac.00702-09 |
| Clostridioides difficile | Clostridioides difficile | Inhibition | nan | % | 10.1128/aac.00702-09 |
| Homo sapiens | Jurkat | EC50 | 52000.0 | nM | 10.1021/jm2001019 |
| Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | Transcriptional activator protein lasR | Activity | 21.0 | % | 10.1021/jm2001019 |
| Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) | Transcriptional activator protein lasR | Ratio | 0.96 | None | 10.1021/jm2001019 |
| Staphylococcus aureus | Receptor-histidine kinase AgrC | Kd | 222000.0 | nM | 10.1021/jm500215s |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/jm500215s |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | nan | % | 10.1021/jm500215s |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 100000.0 | nM | 10.1021/jm500215s |
| None | No relevant target | Activity | nan | None | 10.1021/jm500215s |
| None | Unchecked | EC50 | 29000.0 | nM | 10.1021/jm2001019 |
| None | Unchecked | FC | 10.0 | None | 10.1021/jm500215s |
| None | Unchecked | IC50 | 42000.0 | nM | 10.1021/jm500215s |