3-Methylbut-2-enyl 5-methyl-2-[5-methyl-2-[(2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
| Internal ID | 30d5e737-08a5-45cf-8b6d-7625e13a8454 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Valine and derivatives |
| IUPAC Name | 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[(2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3/t20-,21-/m0/s1 |
| InChI Key | PFXJYHPNSWNJBP-SFTDATJTSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C28H40N4O5 |
| Molecular Weight | 512.60 g/mol |
| Exact Mass | 512.29987039 g/mol |
| Topological Polar Surface Area (TPSA) | 111.00 Ų |
| XlogP | 5.00 |
| SCHEMBL17867258 |
| 3-Methylbut-2-enyl 5-methyl-2-[5-methyl-2-[(2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate |
![2D Structure of 3-Methylbut-2-enyl 5-methyl-2-[5-methyl-2-[(2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/2e9f9400-860a-11ee-a67a-bf3bc8d8d9aa.jpg "2D Structure of 3-Methylbut-2-enyl 5-methyl-2-[5-methyl-2-[(2S)-1-[(2S)-3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 96.35% | 95.69% |
| CHEMBL204 | P00734 | Thrombin | 95.66% | 96.01% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.92% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.10% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.66% | 94.45% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.55% | 98.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.91% | 97.25% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 88.91% | 98.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.43% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.80% | 99.17% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 84.87% | 93.33% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.73% | 97.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.63% | 95.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.63% | 93.56% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 84.61% | 99.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.37% | 97.47% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.17% | 93.65% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.95% | 93.03% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.23% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.95% | 94.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.00% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.86% | 95.89% |
| CHEMBL3691 | Q13822 | Autotaxin | 81.41% | 96.39% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.36% | 89.34% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 81.06% | 92.95% |
| CHEMBL1801 | P00747 | Plasminogen | 81.02% | 92.44% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 80.99% | 87.67% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.90% | 90.08% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 80.88% | 97.53% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.82% | 91.24% |
| CHEMBL4801 | P29466 | Caspase-1 | 80.59% | 96.85% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.34% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.12% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10962306 |
| LOTUS | LTS0109937 |
| wikiData | Q105208218 |