cyclo[DL-N(Me)Ala-bAla-DL-ONva-DL-Pro-DL-xiIle-DL-N(Me)Val]
| Internal ID | 7856b5ae-6958-4822-8ade-bc06be6c7789 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-propyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H49N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h17-21,23-24H,9-16H2,1-8H3,(H,30,36)(H,31,37) |
| InChI Key | BEPSNABVCPQTFP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H49N5O7 |
| Molecular Weight | 579.70 g/mol |
| Exact Mass | 579.36319892 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-N(Me)Ala-bAla-DL-ONva-DL-Pro-DL-xiIle-DL-N(Me)Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-nmeala-bala-dl-onva-dl-pro-dl-xiile-dl-nmeval.jpg "2D Structure of cyclo[DL-N(Me)Ala-bAla-DL-ONva-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 | 99.27% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.18% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.29% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.66% | 96.09% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 96.58% | 96.31% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 95.65% | 94.66% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 95.43% | 98.59% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.48% | 82.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.21% | 97.09% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 92.18% | 94.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.97% | 97.05% |
| CHEMBL3837 | P07711 | Cathepsin L | 90.68% | 96.61% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.21% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.11% | 95.89% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 89.63% | 97.50% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 89.53% | 92.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.53% | 97.79% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.83% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.77% | 90.71% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 88.76% | 92.97% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.66% | 95.92% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.94% | 98.03% |
| CHEMBL228 | P31645 | Serotonin transporter | 86.94% | 95.51% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.84% | 95.62% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 84.73% | 91.76% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 84.54% | 92.12% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.28% | 93.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.26% | 91.03% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.22% | 88.56% |
| CHEMBL1949 | P62937 | Cyclophilin A | 83.70% | 98.57% |
| CHEMBL3691 | Q13822 | Autotaxin | 83.66% | 96.39% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.48% | 95.34% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.26% | 95.50% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.14% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.12% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.65% | 95.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.44% | 98.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.39% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.08% | 97.64% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 80.80% | 94.00% |
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 | 635789 |
| LOTUS | LTS0150005 |
| wikiData | Q104933341 |