cyclo[DL-Leu-DL-N(Me)Phe(b-OH)-DL-OxiIle-DL-N(Me)Val-DL-Phe-DL-N(Me)Phe-DL-Pro-DL-xiIle-DL-N(Me)Val]
| Internal ID | e0bdfc08-e3a1-4610-a0e5-a9373a5cd5f4 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3,6-dibenzyl-12,24-di(butan-2-yl)-15-[hydroxy(phenyl)methyl]-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/C64H92N8O11/c1-15-41(9)50-62(80)69(12)51(39(5)6)57(75)65-46(35-38(3)4)60(78)71(14)53(54(73)45-31-24-19-25-32-45)64(82)83-55(42(10)16-2)63(81)70(13)52(40(7)8)58(76)66-47(36-43-27-20-17-21-28-43)59(77)68(11)49(37-44-29-22-18-23-30-44)61(79)72-34-26-33-48(72)56(74)67-50/h17-25,27-32,38-42,46-55,73H,15-16,26,33-37H2,1-14H3,(H,65,75)(H,66,76)(H,67,74) |
| InChI Key | UQZXPAUXAAJBEV-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C64H92N8O11 |
| Molecular Weight | 1149.50 g/mol |
| Exact Mass | 1148.68855578 g/mol |
| Topological Polar Surface Area (TPSA) | 235.00 Ų |
| XlogP | 9.40 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Leu-DL-N(Me)Phe(b-OH)-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-nmepheb-oh-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(b-OH)-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 | 99.88% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.12% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.92% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.68% | 94.45% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.62% | 92.97% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.62% | 82.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.46% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.20% | 97.25% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.71% | 97.64% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.06% | 99.18% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 91.01% | 96.31% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.56% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.90% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.67% | 90.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.96% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.71% | 86.33% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.56% | 95.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.46% | 93.00% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 83.43% | 91.76% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.26% | 99.23% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.08% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.07% | 97.09% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.70% | 98.57% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.68% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.58% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.42% | 97.14% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.69% | 98.33% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 80.04% | 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 | 163084776 |
| LOTUS | LTS0209487 |
| wikiData | Q105277578 |