[(3R)-1-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-2,2-dimethyl-1-oxodecan-3-yl] (2R)-6-[formyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate
| Internal ID | d6ce41fe-ac78-46f0-98b2-99bfe00ec089 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | [(3R)-1-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-2,2-dimethyl-1-oxodecan-3-yl] (2R)-6-[formyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H53N5O10/c1-5-6-7-8-9-20-29(36(3,4)35(47)38-26-17-13-15-22-41(49)33(26)45)51-34(46)27(18-12-14-21-40(48)23-42)37-31(44)30-24(2)50-32(39-30)25-16-10-11-19-28(25)43/h10-11,16,19,23,26-27,29,43,48-49H,5-9,12-15,17-18,20-22H2,1-4H3,(H,37,44)(H,38,47)/t26-,27+,29+/m0/s1 |
| InChI Key | ZCNZVZVNVGHAHB-YIKNKFAXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H53N5O10 |
| Molecular Weight | 715.80 g/mol |
| Exact Mass | 715.37924290 g/mol |
| Topological Polar Surface Area (TPSA) | 212.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of [(3R)-1-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-2,2-dimethyl-1-oxodecan-3-yl] (2R)-6-[formyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate](https://plantaedb.com/storage/docs/compounds/2023/11/ce3c7010-8546-11ee-9a4f-5da1cd4da4ca.jpg "2D Structure of [(3R)-1-[[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino]-2,2-dimethyl-1-oxodecan-3-yl] (2R)-6-[formyl(hydroxy)amino]-2-[[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]hexanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.89% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.62% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.78% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.39% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.15% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.28% | 95.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 94.23% | 91.81% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.23% | 96.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.76% | 98.33% |
| CHEMBL5028 | O14672 | ADAM10 | 91.33% | 97.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.06% | 90.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.01% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.51% | 94.73% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 87.79% | 80.78% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.49% | 100.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 87.02% | 92.97% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.44% | 97.64% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.91% | 93.65% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.34% | 93.03% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 83.30% | 95.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.22% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.98% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.97% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.80% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.53% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.74% | 86.33% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.55% | 83.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.31% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.26% | 93.10% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.12% | 96.38% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.04% | 93.04% |
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.
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| There are no matching plants. |
| PubChem | 163005943 |
| LOTUS | LTS0079548 |
| wikiData | Q105371295 |