[(3S)-1-oxo-1-[[(3R)-2-oxopiperidin-3-yl]amino]hexadecan-3-yl] (2S)-10-[(1S,2R)-2-hexylcyclopropyl]-2-hydroxydecanoate
| Internal ID | d70e8f95-4810-4a24-a13b-db87329e9dbc |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | [(3S)-1-oxo-1-[[(3R)-2-oxopiperidin-3-yl]amino]hexadecan-3-yl] (2S)-10-[(1S,2R)-2-hexylcyclopropyl]-2-hydroxydecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H74N2O5/c1-3-5-7-9-10-11-12-13-14-18-22-27-35(32-38(44)42-36-28-24-30-41-39(36)45)47-40(46)37(43)29-23-19-16-15-17-21-26-34-31-33(34)25-20-8-6-4-2/h33-37,43H,3-32H2,1-2H3,(H,41,45)(H,42,44)/t33-,34+,35+,36-,37+/m1/s1 |
| InChI Key | DFIVDLXXMDDJMT-AESTUDHESA-N |
| Popularity | 2 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 [(3S)-1-oxo-1-[[(3R)-2-oxopiperidin-3-yl]amino]hexadecan-3-yl] (2S)-10-[(1S,2R)-2-hexylcyclopropyl]-2-hydroxydecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/53e56510-8635-11ee-b3cf-c99fa466fe02.jpg "2D Structure of [(3S)-1-oxo-1-[[(3R)-2-oxopiperidin-3-yl]amino]hexadecan-3-yl] (2S)-10-[(1S,2R)-2-hexylcyclopropyl]-2-hydroxydecanoate")
| 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 | 98.07% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.07% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.83% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.75% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.48% | 97.25% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 94.85% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.65% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.77% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.65% | 91.11% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.38% | 98.59% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.60% | 97.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.49% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 91.13% | 91.81% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.03% | 90.08% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.27% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.18% | 95.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.15% | 98.03% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 88.36% | 94.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.20% | 92.88% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.94% | 93.56% |
| 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 | 85.47% | 94.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.35% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.98% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.60% | 89.63% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.38% | 93.03% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.27% | 97.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.15% | 99.23% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.57% | 89.34% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.34% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.33% | 92.86% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 82.32% | 96.33% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.95% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.36% | 92.62% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 81.19% | 95.71% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.94% | 95.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.93% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.84% | 93.00% |
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 | 10439374 |
| LOTUS | LTS0099076 |
| wikiData | Q104977885 |