Cyanopeptolin CP978
| Internal ID | 1596c01a-e480-440c-8473-66e69de153aa |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 4-[[15-(5-amino-5-iminopentyl)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-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) | CCCC(=O)NC(CC(=O)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)C(NC1=O)CCCCC(=N)N)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C(C)C)C |
| SMILES (Isomeric) | CCCC(=O)NC(CC(=O)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)C(NC1=O)CCCCC(=N)N)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C(C)C)C |
| InChI | InChI=1S/C48H67N9O13/c1-6-12-37(59)51-33(25-39(61)62)43(64)55-41-27(4)70-48(69)40(26(2)3)54-44(65)34(23-29-17-19-30(58)20-18-29)56(5)47(68)35(24-28-13-8-7-9-14-28)57-38(60)22-21-32(46(57)67)53-42(63)31(52-45(41)66)15-10-11-16-36(49)50/h7-9,13-14,17-20,26-27,31-35,38,40-41,58,60H,6,10-12,15-16,21-25H2,1-5H3,(H3,49,50)(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62) |
| InChI Key | URCPMPQTYGGFBQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C48H67N9O13 |
| Molecular Weight | 978.10 g/mol |
| Exact Mass | 977.48583323 g/mol |
| Topological Polar Surface Area (TPSA) | 340.00 Ų |
| XlogP | 1.50 |
| DTXSID101334071 |
| 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 | 99.94% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.65% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.89% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.50% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.78% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.24% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.78% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.81% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.84% | 95.89% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.71% | 97.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.36% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.71% | 99.23% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.58% | 90.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.48% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.25% | 97.09% |
| CHEMBL1949 | P62937 | Cyclophilin A | 88.94% | 98.57% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.49% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.42% | 89.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 86.80% | 93.04% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.51% | 93.67% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.77% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.36% | 86.33% |
| CHEMBL3468 | P55210 | Caspase-7 | 84.76% | 95.68% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.55% | 90.71% |
| CHEMBL3776 | Q14790 | Caspase-8 | 84.46% | 97.06% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.88% | 93.56% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.82% | 97.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.66% | 95.93% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.32% | 82.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.03% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.58% | 89.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.47% | 96.47% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.42% | 98.75% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 80.40% | 96.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 146682047 |
| LOTUS | LTS0128465 |
| wikiData | Q105277668 |