3-[(2R,3S)-3-[(2S,4R)-4-hydroxyhexan-2-yl]-2-methyloxiran-2-yl]-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]prop-2-enamide
| Internal ID | f6960050-ed65-4559-8668-7aff9b06a5a8 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols |
| IUPAC Name | 3-[(2R,3S)-3-[(2S,4R)-4-hydroxyhexan-2-yl]-2-methyloxiran-2-yl]-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]prop-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H33NO4/c1-6-12(3)15(11-20)19-16(22)8-9-18(5)17(23-18)13(4)10-14(21)7-2/h8-9,12-15,17,20-21H,6-7,10-11H2,1-5H3,(H,19,22)/t12-,13-,14+,15+,17-,18+/m0/s1 |
| InChI Key | KQYIQWJQJFWGMP-HAUQUKAHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H33NO4 |
| Molecular Weight | 327.50 g/mol |
| Exact Mass | 327.24095853 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 3-[(2R,3S)-3-[(2S,4R)-4-hydroxyhexan-2-yl]-2-methyloxiran-2-yl]-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/0baedbd0-83de-11ee-abc8-e387c07d35a1.jpg "2D Structure of 3-[(2R,3S)-3-[(2S,4R)-4-hydroxyhexan-2-yl]-2-methyloxiran-2-yl]-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]prop-2-enamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.16% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.40% | 96.61% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 93.35% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.17% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.22% | 96.47% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.40% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.60% | 90.17% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.85% | 98.05% |
| CHEMBL268 | P43235 | Cathepsin K | 89.28% | 96.85% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.02% | 91.24% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.57% | 97.29% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 87.09% | 80.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.47% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.44% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.66% | 92.86% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.57% | 95.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.55% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.96% | 83.82% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.96% | 97.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.40% | 96.95% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 82.97% | 96.33% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.91% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.40% | 92.88% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.88% | 96.90% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.79% | 89.50% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.36% | 85.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.25% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.64% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.55% | 89.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.20% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.19% | 94.73% |
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| There are no matching plants. |
| PubChem | 162869860 |
| LOTUS | LTS0031717 |
| wikiData | Q105144864 |