cyclo[DL-OPhe-DL-Pro-DL-N(Me)xiIle-ObAla(2-Me,3-pentyl)-DL-Val-DL-N(Me)Val]
| Internal ID | a153b2a7-8be1-49bf-a488-92a521b54132 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3-benzyl-16-butan-2-yl-7,12,17-trimethyl-13-pentyl-6,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H64N4O8/c1-11-13-15-22-31-28(8)36(46)42-33(25(3)4)39(49)43(9)34(26(5)6)40(50)53-32(24-29-19-16-14-17-20-29)38(48)45-23-18-21-30(45)37(47)44(10)35(27(7)12-2)41(51)52-31/h14,16-17,19-20,25-28,30-35H,11-13,15,18,21-24H2,1-10H3,(H,42,46) |
| InChI Key | XLHASFYAUGQJAG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H64N4O8 |
| Molecular Weight | 741.00 g/mol |
| Exact Mass | 740.47241501 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 7.60 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-OPhe-DL-Pro-DL-N(Me)xiIle-ObAla(2-Me,3-pentyl)-DL-Val-DL-N(Me)Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-ophe-dl-pro-dl-nmexiile-obala2-me3-pentyl-dl-val-dl-nmeval.jpg "2D Structure of cyclo[DL-OPhe-DL-Pro-DL-N(Me)xiIle-ObAla(2-Me,3-pentyl)-DL-Val-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 | 99.90% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.80% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.22% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.58% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.81% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.06% | 97.64% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 93.87% | 91.76% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.07% | 82.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.96% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.85% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.60% | 97.05% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 89.07% | 96.31% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 88.62% | 92.97% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.02% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.57% | 93.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.57% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.80% | 94.45% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.00% | 99.18% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.51% | 97.14% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.16% | 90.24% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.40% | 94.66% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.17% | 93.03% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.94% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.55% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.39% | 85.14% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162861349 |
| LOTUS | LTS0089409 |
| wikiData | Q104201096 |