Cyanopeptolin CP992
| Internal ID | 36549b6b-242c-4622-9dce-e79056684ada |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 4-[[15-(5-amino-5-iminopentyl)-2-benzyl-21-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(butanoylamino)-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C49H69N9O13/c1-6-12-38(60)52-34(26-40(62)63)44(65)56-42-28(4)71-49(70)41(27(2)3)55-45(66)35(23-19-29-17-20-31(59)21-18-29)57(5)48(69)36(25-30-13-8-7-9-14-30)58-39(61)24-22-33(47(58)68)54-43(64)32(53-46(42)67)15-10-11-16-37(50)51/h7-9,13-14,17-18,20-21,27-28,32-36,39,41-42,59,61H,6,10-12,15-16,19,22-26H2,1-5H3,(H3,50,51)(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63) |
| InChI Key | HPCHIRZLXVDCJR-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C49H69N9O13 |
| Molecular Weight | 992.10 g/mol |
| Exact Mass | 991.50148329 g/mol |
| Topological Polar Surface Area (TPSA) | 340.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
| 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 | 99.95% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.23% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.87% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.39% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.33% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.63% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.26% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.88% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.11% | 90.08% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.49% | 97.64% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.43% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.11% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.90% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.61% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.17% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.05% | 89.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.95% | 93.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.91% | 95.93% |
| CHEMBL1949 | P62937 | Cyclophilin A | 88.79% | 98.57% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.49% | 97.14% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 88.11% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 87.90% | 99.35% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.62% | 92.08% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.14% | 93.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.62% | 90.71% |
| CHEMBL3891 | P07384 | Calpain 1 | 86.32% | 93.04% |
| CHEMBL3776 | Q14790 | Caspase-8 | 85.13% | 97.06% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 84.21% | 95.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.88% | 93.56% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.23% | 97.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.10% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.08% | 91.19% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.09% | 96.03% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.04% | 82.38% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.91% | 98.59% |
| CHEMBL3468 | P55210 | Caspase-7 | 80.89% | 95.68% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.74% | 96.47% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 80.22% | 88.10% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 146682045 |
| LOTUS | LTS0134809 |
| wikiData | Q105031632 |