cyclo[Ile-Leu-D-Phe-Pro-Phe-D-Leu]
| Internal ID | f7019916-404e-4474-bca5-db10b1f393b5 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (3R,6S,9S,12R,15S,18S)-3,15-dibenzyl-9-[(2S)-butan-2-yl]-6,12-bis(2-methylpropyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H58N6O6/c1-7-27(6)35-40(52)44-30(21-25(2)3)36(48)45-33(24-29-17-12-9-13-18-29)41(53)47-20-14-19-34(47)39(51)43-32(23-28-15-10-8-11-16-28)37(49)42-31(22-26(4)5)38(50)46-35/h8-13,15-18,25-27,30-35H,7,14,19-24H2,1-6H3,(H,42,49)(H,43,51)(H,44,52)(H,45,48)(H,46,50)/t27-,30-,31+,32-,33+,34-,35-/m0/s1 |
| InChI Key | RDFYNJULNCUNKD-KNDPMYCDSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C41H58N6O6 |
| Molecular Weight | 730.90 g/mol |
| Exact Mass | 730.44178359 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of cyclo[Ile-Leu-D-Phe-Pro-Phe-D-Leu]](https://plantaedb.com/storage/docs/compounds/2023/11/cycloile-leu-d-phe-pro-phe-d-leu.jpg "2D Structure of cyclo[Ile-Leu-D-Phe-Pro-Phe-D-Leu]")
| 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 | 99.85% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.15% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.64% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.42% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 94.41% | 92.97% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 93.76% | 96.31% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.25% | 82.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.81% | 90.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.37% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.53% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.91% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.13% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.73% | 97.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.72% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.39% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.37% | 93.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.25% | 86.33% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.03% | 99.18% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 84.73% | 92.67% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.78% | 93.03% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 83.39% | 92.00% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 83.09% | 90.65% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.52% | 97.25% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.37% | 90.93% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.92% | 91.76% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 81.84% | 95.48% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.35% | 96.47% |
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 | 11814600 |
| LOTUS | LTS0214235 |
| wikiData | Q105234198 |