N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-7-methyloctanamide
| Internal ID | 34c72dc5-c3e9-44f2-9919-eac8e981b91c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-7-methyloctanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H38N2O6/c1-14(2)8-6-5-7-9-18(26)22-17(11-24)20(28)23-16(10-15(3)4)19(27)21(12-25)13-29-21/h14-17,24-25H,5-13H2,1-4H3,(H,22,26)(H,23,28)/t16-,17-,21+/m0/s1 |
| InChI Key | DXOXZURUMIOSAK-XGHQBKJUSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C21H38N2O6 |
| Molecular Weight | 414.50 g/mol |
| Exact Mass | 414.27298694 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 1.80 |
| SCHEMBL16001953 |
| N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-7-methyloctanamide |
![2D Structure of N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-7-methyloctanamide](https://plantaedb.com/storage/docs/compounds/2023/11/epopromycin-b.jpg "2D Structure of N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-7-methyloctanamide")
| 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 | 98.93% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.79% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.71% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.48% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.05% | 99.17% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 94.43% | 97.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.68% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.37% | 89.63% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 92.95% | 98.10% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.78% | 93.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 92.69% | 98.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.05% | 90.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.50% | 93.10% |
| CHEMBL1865 | Q9UBN7 | Histone deacetylase 6 | 90.46% | 97.03% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 89.86% | 94.66% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.48% | 89.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.23% | 94.45% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 89.22% | 92.29% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.11% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.09% | 96.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.96% | 95.71% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 88.95% | 95.92% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 88.68% | 98.33% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 88.50% | 93.85% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.07% | 96.90% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.96% | 97.21% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.18% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.78% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.53% | 94.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.32% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.85% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.79% | 97.14% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 84.11% | 97.29% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.09% | 99.35% |
| CHEMBL3776 | Q14790 | Caspase-8 | 83.95% | 97.06% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 83.90% | 95.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.12% | 96.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.90% | 94.80% |
| CHEMBL3629 | P68400 | Casein kinase II alpha | 81.66% | 98.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.52% | 91.24% |
| CHEMBL3018 | Q9Y5Y6 | Matriptase | 80.33% | 98.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.30% | 93.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.21% | 100.00% |
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 | 11258498 |
| LOTUS | LTS0075465 |
| wikiData | Q104991115 |