[1-Oxo-1-[(2-oxopiperidin-3-yl)amino]hexadecan-3-yl] 4-(2-dodecylcyclopropyl)-2-hydroxybutanoate
| Internal ID | 754bc167-2d75-4ea5-880a-f4c220ad2e85 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | [1-oxo-1-[(2-oxopiperidin-3-yl)amino]hexadecan-3-yl] 4-(2-dodecylcyclopropyl)-2-hydroxybutanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCC(CC(=O)NC1CCCNC1=O)OC(=O)C(CCC2CC2CCCCCCCCCCCC)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCC(CC(=O)NC1CCCNC1=O)OC(=O)C(CCC2CC2CCCCCCCCCCCC)O |
| InChI | InChI=1S/C40H74N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-26-35(32-38(44)42-36-27-24-30-41-39(36)45)47-40(46)37(43)29-28-34-31-33(34)25-22-20-18-16-14-12-10-8-6-4-2/h33-37,43H,3-32H2,1-2H3,(H,41,45)(H,42,44) |
| InChI Key | SHFIKHVKZZBOIT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H74N2O5 |
| Molecular Weight | 663.00 g/mol |
| Exact Mass | 662.55977347 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 13.40 |
| There are no found synonyms. |
![2D Structure of [1-Oxo-1-[(2-oxopiperidin-3-yl)amino]hexadecan-3-yl] 4-(2-dodecylcyclopropyl)-2-hydroxybutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1-oxo-1-2-oxopiperidin-3-ylaminohexadecan-3-yl-4-2-dodecylcyclopropyl-2-hydroxybutanoate.jpg "2D Structure of [1-Oxo-1-[(2-oxopiperidin-3-yl)amino]hexadecan-3-yl] 4-(2-dodecylcyclopropyl)-2-hydroxybutanoate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.01% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.95% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.75% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.66% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.42% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.69% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 94.69% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.49% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.63% | 99.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.66% | 98.59% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.51% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.49% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.25% | 90.08% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 91.13% | 91.81% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.05% | 98.03% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.81% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.11% | 96.61% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 86.73% | 94.50% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.76% | 94.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.63% | 82.69% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.77% | 94.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.45% | 92.88% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.41% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.34% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.04% | 93.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.91% | 97.64% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.77% | 89.34% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 82.32% | 96.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.09% | 99.23% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.95% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.20% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.12% | 93.03% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.94% | 95.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.88% | 92.62% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 80.53% | 95.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.34% | 89.63% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.17% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.11% | 91.19% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 85245864 |
| LOTUS | LTS0131295 |
| wikiData | Q104197296 |