cyclo[DL-Leu-DL-N(Me)Phe-DL-OxiIle-DL-N(Me)Val-DL-Phe-DL-N(Me)Phe-DL-Pro-DL-xiIle-DL-N(Me)Val]
| Internal ID | affeadad-e192-480d-b2fc-ef7aadb4d8e6 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3,6,15-tribenzyl-12,24-di(butan-2-yl)-4,10,16,22-tetramethyl-18-(2-methylpropyl)-9,21-di(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C64H92N8O10/c1-15-42(9)52-62(79)70(13)53(40(5)6)57(74)65-47(35-39(3)4)59(76)69(12)51(38-46-31-24-19-25-32-46)64(81)82-55(43(10)16-2)63(80)71(14)54(41(7)8)58(75)66-48(36-44-27-20-17-21-28-44)60(77)68(11)50(37-45-29-22-18-23-30-45)61(78)72-34-26-33-49(72)56(73)67-52/h17-25,27-32,39-43,47-55H,15-16,26,33-38H2,1-14H3,(H,65,74)(H,66,75)(H,67,73) |
| InChI Key | SLCLWNQARUMWCS-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C64H92N8O10 |
| Molecular Weight | 1133.50 g/mol |
| Exact Mass | 1132.69364116 g/mol |
| Topological Polar Surface Area (TPSA) | 215.00 Ų |
| XlogP | 10.00 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Leu-DL-N(Me)Phe-DL-OxiIle-DL-N(Me)Val-DL-Phe-DL-N(Me)Phe-DL-Pro-DL-xiIle-DL-N(Me)Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-leu-dl-nmephe-dl-oxiile-dl-nmeval-dl-phe-dl-nmephe-dl-pro-dl-xiile-dl-nmeval.jpg "2D Structure of cyclo[DL-Leu-DL-N(Me)Phe-DL-OxiIle-DL-N(Me)Val-DL-Phe-DL-N(Me)Phe-DL-Pro-DL-xiIle-DL-N(Me)Val]")
| 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 | 99.79% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.65% | 96.09% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 96.99% | 96.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.62% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 94.86% | 82.38% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.19% | 97.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.63% | 94.45% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 92.29% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.86% | 85.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.80% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.78% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.52% | 97.25% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 89.33% | 91.76% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.95% | 99.18% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.42% | 93.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.57% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.40% | 93.03% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.36% | 97.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.91% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.96% | 90.17% |
| CHEMBL1949 | P62937 | Cyclophilin A | 83.32% | 98.57% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.23% | 97.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.23% | 98.33% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.93% | 95.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.17% | 99.23% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 80.78% | 92.00% |
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 | 10351268 |
| LOTUS | LTS0196671 |
| wikiData | Q105255202 |