Cyanopeptolin CP1049
| Internal ID | c8980eaa-05b4-4f34-b728-987baceabfcc |
| 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-(octanoylamino)-4-oxobutanoic acid |
| SMILES (Canonical) | CCCCCCCC(=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)CCC4=CC=C(C=C4)O)C(C)C)C |
| SMILES (Isomeric) | CCCCCCCC(=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)CCC4=CC=C(C=C4)O)C(C)C)C |
| InChI | InChI=1S/C53H77N9O13/c1-6-7-8-9-13-20-42(64)56-38(30-44(66)67)48(69)60-46-32(4)75-53(74)45(31(2)3)59-49(70)39(27-23-33-21-24-35(63)25-22-33)61(5)52(73)40(29-34-16-11-10-12-17-34)62-43(65)28-26-37(51(62)72)58-47(68)36(57-50(46)71)18-14-15-19-41(54)55/h10-12,16-17,21-22,24-25,31-32,36-40,43,45-46,63,65H,6-9,13-15,18-20,23,26-30H2,1-5H3,(H3,54,55)(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67) |
| InChI Key | XTMLAEGIWFDMIU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C53H77N9O13 |
| Molecular Weight | 1048.20 g/mol |
| Exact Mass | 1047.56408354 g/mol |
| Topological Polar Surface Area (TPSA) | 340.00 Ų |
| XlogP | 4.10 |
| 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 | 99.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.29% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 99.22% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.27% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.93% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.78% | 92.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.44% | 90.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.76% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.61% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.59% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.59% | 95.89% |
| CHEMBL4072 | P07858 | Cathepsin B | 92.84% | 93.67% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.76% | 97.64% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 92.18% | 95.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.98% | 86.33% |
| CHEMBL236 | P41143 | Delta opioid receptor | 91.07% | 99.35% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.00% | 93.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.56% | 97.14% |
| CHEMBL3891 | P07384 | Calpain 1 | 90.46% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.00% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.18% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.10% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.71% | 90.71% |
| CHEMBL1949 | P62937 | Cyclophilin A | 88.57% | 98.57% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 88.56% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.18% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.95% | 89.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 87.59% | 97.06% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.56% | 95.93% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 87.43% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.18% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.95% | 96.47% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.62% | 97.33% |
| CHEMBL3837 | P07711 | Cathepsin L | 83.51% | 96.61% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.93% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.30% | 91.19% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 81.71% | 82.86% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.49% | 90.93% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.43% | 96.25% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.90% | 82.38% |
| CHEMBL3468 | P55210 | Caspase-7 | 80.88% | 95.68% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.36% | 97.79% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 146682043 |
| LOTUS | LTS0079601 |
| wikiData | Q105341665 |