Cyanopeptolin CP1048
| Internal ID | d9dd8534-ccdf-4c8c-b16e-bde520fe7854 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 4-[[2-benzyl-15-[3-(diaminomethylideneamino)propyl]-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-(octanoylamino)-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55) |
| InChI Key | VYXPXPDSGOMRCH-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C52H76N10O13 |
| Molecular Weight | 1049.20 g/mol |
| Exact Mass | 1048.55933252 g/mol |
| Topological Polar Surface Area (TPSA) | 355.00 Ų |
| XlogP | 3.20 |
| DTXSID501047945 |
| 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 | 99.97% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.45% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.38% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.21% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.05% | 83.82% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.34% | 92.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.69% | 94.45% |
| CHEMBL236 | P41143 | Delta opioid receptor | 94.94% | 99.35% |
| CHEMBL4072 | P07858 | Cathepsin B | 94.86% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.86% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.51% | 95.89% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.11% | 97.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.80% | 90.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.37% | 90.08% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.10% | 96.61% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.97% | 93.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 90.59% | 95.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.53% | 86.33% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 90.41% | 99.52% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.55% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.19% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.79% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.42% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.09% | 95.89% |
| CHEMBL3776 | Q14790 | Caspase-8 | 87.80% | 97.06% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.74% | 97.14% |
| CHEMBL1949 | P62937 | Cyclophilin A | 87.26% | 98.57% |
| CHEMBL3891 | P07384 | Calpain 1 | 87.09% | 93.04% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.00% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.78% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.67% | 93.56% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.29% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.71% | 96.47% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.25% | 98.75% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.11% | 94.66% |
| CHEMBL4608 | P33032 | Melanocortin receptor 5 | 81.60% | 97.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.42% | 90.93% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.28% | 96.25% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.17% | 98.59% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.87% | 97.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.55% | 93.03% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.55% | 97.23% |
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.
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| There are no matching plants. |
| PubChem | 146684844 |
| LOTUS | LTS0095427 |
| wikiData | Q104203171 |