Piperazimycin A
| Internal ID | 55170f83-7035-4755-8b6e-e9e1a88f3f51 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3R,5S,10S,13R,15R,23S,26S,28S)-5-chloro-15,28-dihydroxy-23-(hydroxymethyl)-23-methyl-10-[(2E,4E)-6-methylhepta-2,4-dienyl]-21-oxa-1,7,8,11,17,18,24,30-octazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H47ClN8O10/c1-17(2)7-5-4-6-8-21-28(47)40-24(9-18(32)12-33-40)29(48)39-23(11-20(43)14-35-39)27(46)37-31(3,16-41)30(49)50-15-25(44)38-22(26(45)36-21)10-19(42)13-34-38/h4-7,17-24,33-35,41-43H,8-16H2,1-3H3,(H,36,45)(H,37,46)/b6-4+,7-5+/t18-,19+,20-,21-,22+,23-,24+,31-/m0/s1 |
| InChI Key | OHBCWVJHZZYAHJ-QODGRZNGSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C31H47ClN8O10 |
| Molecular Weight | 727.20 g/mol |
| Exact Mass | 726.3103674 g/mol |
| Topological Polar Surface Area (TPSA) | 242.00 Ų |
| XlogP | -0.70 |
| Piperazimycin A |
| 99270-01-6 |
| (3R,5S,10S,13R,15R,23S,26S,28S)-5-chloro-15,28-dihydroxy-23-(hydroxymethyl)-23-methyl-10-[(2E,4E)-6-methylhepta-2,4-dienyl]-21-oxa-1,7,8,11,17,18,24,30-octazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexone |
| DTXSID30244016 |
| 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 | 98.02% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.84% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.44% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.54% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.60% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.46% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.97% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.23% | 97.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.43% | 88.56% |
| CHEMBL204 | P00734 | Thrombin | 88.58% | 96.01% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.53% | 95.56% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 88.37% | 89.92% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.04% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.90% | 94.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.49% | 90.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.94% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.78% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.54% | 89.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.65% | 89.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.63% | 98.03% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.54% | 83.82% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 82.20% | 92.78% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.06% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.33% | 95.93% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.80% | 91.03% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.39% | 92.32% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.01% | 97.47% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 16103273 |
| LOTUS | LTS0202383 |
| wikiData | Q77499902 |