N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylbutanamide
| Internal ID | d32509f6-2f96-4941-9c8b-6e8ec44ca688 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones > Beta-hydroxy ketones |
| IUPAC Name | N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylbutanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H32N2O6/c1-10(2)6-13(16(24)18(8-21)9-26-18)19-17(25)15(12(5)22)20-14(23)7-11(3)4/h10-13,15,21-22H,6-9H2,1-5H3,(H,19,25)(H,20,23) |
| InChI Key | CEWYDURMTVVVNH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H32N2O6 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.22603674 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylbutanamide](https://plantaedb.com/storage/docs/compounds/2023/11/isovaleryl-dl-xithr-dl-leu-unk.jpg "2D Structure of N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]-3-methylbutanamide")
| 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 | 98.84% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.71% | 83.82% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 95.93% | 97.50% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 94.14% | 93.85% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.92% | 91.11% |
| CHEMBL3776 | Q14790 | Caspase-8 | 92.69% | 97.06% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 92.51% | 98.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL3308 | P55212 | Caspase-6 | 89.40% | 97.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.56% | 96.61% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.31% | 89.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.28% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.17% | 93.56% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.98% | 98.10% |
| CHEMBL1801 | P00747 | Plasminogen | 86.90% | 92.44% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 86.57% | 92.29% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.36% | 94.66% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.19% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.17% | 97.14% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.84% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.77% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.94% | 96.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.68% | 98.75% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.60% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.13% | 85.14% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.00% | 95.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.86% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.37% | 93.10% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.18% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.12% | 94.33% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.77% | 98.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.75% | 96.47% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.70% | 90.08% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.32% | 90.20% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 77908639 |
| LOTUS | LTS0106202 |
| wikiData | Q103817666 |