cyclo[N(Me)Ala-bAla-OGlu(4R-Me)-Pro-Val-N(Me)Val]
| Internal ID | e04f838a-9779-43b7-b77e-c2e60737e188 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (2R)-2-methyl-3-[(3S,10S,13S,16S,19S)-10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H47N5O9/c1-15(2)22-27(39)33(8)23(16(3)4)28(40)32(7)18(6)24(36)30-12-11-21(35)43-20(14-17(5)29(41)42)26(38)34-13-9-10-19(34)25(37)31-22/h15-20,22-23H,9-14H2,1-8H3,(H,30,36)(H,31,37)(H,41,42)/t17-,18+,19+,20+,22+,23+/m1/s1 |
| InChI Key | PQDFKLRXDHJLPB-FJEIJJERSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H47N5O9 |
| Molecular Weight | 609.70 g/mol |
| Exact Mass | 609.33737809 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of cyclo[N(Me)Ala-bAla-OGlu(4R-Me)-Pro-Val-N(Me)Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclonmeala-bala-oglu4r-me-pro-val-nmeval.jpg "2D Structure of cyclo[N(Me)Ala-bAla-OGlu(4R-Me)-Pro-Val-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 | 98.91% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.84% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.86% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.40% | 90.08% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 93.01% | 96.31% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.20% | 85.14% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 91.71% | 94.66% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.71% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.50% | 90.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.04% | 93.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.46% | 97.05% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.48% | 95.62% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 87.34% | 94.50% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 86.80% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.81% | 95.56% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 84.99% | 92.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.76% | 82.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.70% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.53% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.48% | 89.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.46% | 92.97% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.11% | 99.23% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.60% | 99.18% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.51% | 96.61% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.49% | 90.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.03% | 96.47% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 80.24% | 96.03% |
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 | 163046593 |
| LOTUS | LTS0071998 |
| wikiData | Q105213181 |