Oscillapeptin J
| Internal ID | 77222f6a-6d32-4daa-9776-9db446175a14 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | [(2R)-3-[[(2S)-1-[[(2S,5S,8S,11R,12S,15S,18S,21R)-8-[(2R)-butan-2-yl]-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-hydroxy-3-oxopropyl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25-,30+,31+,32+,33+,34-,35-,36+,37+,38+/m1/s1 |
| InChI Key | TYSLVBJOPFOBFU-KHIPEBSYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C47H68N10O18S |
| Molecular Weight | 1093.20 g/mol |
| Exact Mass | 1092.44337653 g/mol |
| Topological Polar Surface Area (TPSA) | 450.00 Ų |
| XlogP | -1.00 |
| SCHEMBL16431289 |
| 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 | 99.91% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.81% | 96.61% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.72% | 83.82% |
| CHEMBL4072 | P07858 | Cathepsin B | 99.67% | 93.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.29% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 99.15% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.58% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.24% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.62% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.85% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 94.33% | 98.59% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 94.31% | 94.66% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 94.29% | 98.05% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.17% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.05% | 90.08% |
| CHEMBL4198 | P98170 | Inhibitor of apoptosis protein 3 | 94.01% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.91% | 95.89% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 93.61% | 96.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.63% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.30% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.28% | 97.14% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 91.46% | 92.88% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.78% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.66% | 93.03% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 89.65% | 95.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.26% | 89.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.91% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 88.82% | 97.64% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 88.53% | 96.90% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.39% | 91.11% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.93% | 93.10% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.37% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.34% | 93.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.51% | 97.23% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 85.46% | 95.34% |
| CHEMBL1801 | P00747 | Plasminogen | 84.52% | 92.44% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.79% | 100.00% |
| CHEMBL4461 | Q9NTG7 | NAD-dependent deacetylase sirtuin 3 | 83.52% | 94.36% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.83% | 98.57% |
| CHEMBL2000 | P03952 | Plasma kallikrein | 81.92% | 93.92% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.84% | 89.50% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 81.61% | 96.76% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.51% | 95.50% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 81.49% | 96.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.20% | 99.23% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 80.90% | 91.23% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 80.71% | 88.33% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.65% | 85.31% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.23% | 92.32% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.05% | 94.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 11768341 |
| LOTUS | LTS0065696 |
| wikiData | Q77386058 |