Panclicin E
| Internal ID | 8d504eb2-8142-4301-8f47-1119f7118259 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters |
| IUPAC Name | [(2S)-1-[(2S,3S)-3-dodecyl-4-oxooxetan-2-yl]nonan-2-yl] 2-formamidoacetate |
| SMILES (Canonical) | CCCCCCCCCCCCC1C(OC1=O)CC(CCCCCCC)OC(=O)CNC=O |
| SMILES (Isomeric) | CCCCCCCCCCCC[C@H]1[C@@H](OC1=O)C[C@H](CCCCCCC)OC(=O)CNC=O |
| InChI | InChI=1S/C27H49NO5/c1-3-5-7-9-10-11-12-13-15-17-19-24-25(33-27(24)31)20-23(18-16-14-8-6-4-2)32-26(30)21-28-22-29/h22-25H,3-21H2,1-2H3,(H,28,29)/t23-,24-,25-/m0/s1 |
| InChI Key | HOPVINBCAGNBQT-SDHOMARFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H49NO5 |
| Molecular Weight | 467.70 g/mol |
| Exact Mass | 467.36107366 g/mol |
| Topological Polar Surface Area (TPSA) | 81.70 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4191 | Q99685 | Monoglyceride lipase |
890 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.24% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.87% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.19% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.56% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.39% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.15% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.03% | 95.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.84% | 98.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.53% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.39% | 89.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.97% | 93.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.42% | 93.67% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.85% | 92.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.61% | 92.86% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.71% | 95.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.54% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.74% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.66% | 94.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.13% | 92.88% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.15% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.14% | 83.82% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.13% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.61% | 97.79% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.02% | 96.90% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.95% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.57% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.52% | 89.00% |
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.
| Withania coagulans |
| Withania somnifera |
| PubChem | 9804635 |
| LOTUS | LTS0071395 |
| wikiData | Q104991748 |