[4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 2-[[2-(2-hydroxyphenyl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-6-[hydroxy(tetradecanoyl)amino]hexanoate
| Internal ID | 883982de-1ccc-4154-8301-970c9c49e62f |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides |
| IUPAC Name | [4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 2-[[2-(2-hydroxyphenyl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-6-[hydroxy(tetradecanoyl)amino]hexanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCC(=O)N(CCCCC(C(=O)OC(C)CC(=O)NC1CCCCN(C1=O)O)NC(=O)C2(COC(=N2)C3=CC=CC=C3O)C)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCC(=O)N(CCCCC(C(=O)OC(C)CC(=O)NC1CCCCN(C1=O)O)NC(=O)C2(COC(=N2)C3=CC=CC=C3O)C)O |
| InChI | InChI=1S/C41H65N5O10/c1-4-5-6-7-8-9-10-11-12-13-14-25-36(49)45(53)26-19-18-23-33(43-40(52)41(3)29-55-37(44-41)31-21-15-16-24-34(31)47)39(51)56-30(2)28-35(48)42-32-22-17-20-27-46(54)38(32)50/h15-16,21,24,30,32-33,47,53-54H,4-14,17-20,22-23,25-29H2,1-3H3,(H,42,48)(H,43,52) |
| InChI Key | FLNBHUFQQNURAK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C41H65N5O10 |
| Molecular Weight | 788.00 g/mol |
| Exact Mass | 787.47314329 g/mol |
| Topological Polar Surface Area (TPSA) | 207.00 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of [4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 2-[[2-(2-hydroxyphenyl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-6-[hydroxy(tetradecanoyl)amino]hexanoate](https://plantaedb.com/storage/docs/compounds/2023/11/28dcc1a0-856f-11ee-b4b5-ab5210dd065f.jpg "2D Structure of [4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 2-[[2-(2-hydroxyphenyl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-6-[hydroxy(tetradecanoyl)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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.40% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.92% | 89.63% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 97.44% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.88% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.83% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 95.84% | 93.10% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.28% | 90.17% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 94.80% | 92.97% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.70% | 90.08% |
| CHEMBL240 | Q12809 | HERG | 94.49% | 89.76% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.28% | 95.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.44% | 99.23% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.38% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.30% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.25% | 93.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 90.65% | 91.81% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.35% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.95% | 96.47% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 88.44% | 92.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.18% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 87.13% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.14% | 98.75% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.13% | 92.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.11% | 90.71% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.61% | 95.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.14% | 92.88% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.91% | 92.62% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 84.30% | 96.25% |
| CHEMBL204 | P00734 | Thrombin | 83.97% | 96.01% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.90% | 95.89% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 83.36% | 89.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.17% | 96.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.87% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.53% | 100.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.19% | 96.09% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.46% | 97.50% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.13% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 135506444 |
| LOTUS | LTS0104703 |
| wikiData | Q75065804 |