cyclo[Ala-bAla-D-OLeu-Pro-Val-Val]
| Internal ID | 4d61f21e-0b2b-4c2e-a74c-7c713b32538a |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3R,10S,13S,16S,19S)-10-methyl-3-(2-methylpropyl)-13,16-di(propan-2-yl)-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/C27H45N5O7/c1-14(2)13-19-27(38)32-12-8-9-18(32)24(35)30-22(16(5)6)26(37)31-21(15(3)4)25(36)29-17(7)23(34)28-11-10-20(33)39-19/h14-19,21-22H,8-13H2,1-7H3,(H,28,34)(H,29,36)(H,30,35)(H,31,37)/t17-,18-,19+,21-,22-/m0/s1 |
| InChI Key | JXQRPWZACATZAG-GVMRPCBKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H45N5O7 |
| Molecular Weight | 551.70 g/mol |
| Exact Mass | 551.33189879 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of cyclo[Ala-bAla-D-OLeu-Pro-Val-Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cycloala-bala-d-oleu-pro-val-val.jpg "2D Structure of cyclo[Ala-bAla-D-OLeu-Pro-Val-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 | 98.71% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.98% | 90.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.94% | 97.25% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 95.72% | 96.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.47% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.89% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.81% | 85.14% |
| CHEMBL228 | P31645 | Serotonin transporter | 93.58% | 95.51% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.27% | 94.66% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 91.23% | 99.18% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.12% | 97.05% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.76% | 95.93% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 90.03% | 94.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.97% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.76% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.63% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.91% | 82.38% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.83% | 88.56% |
| CHEMBL1949 | P62937 | Cyclophilin A | 85.79% | 98.57% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.67% | 98.59% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.42% | 92.97% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 84.27% | 97.50% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.95% | 90.24% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 83.80% | 92.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.49% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.30% | 97.79% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.23% | 93.04% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 82.54% | 92.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.51% | 89.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.03% | 91.03% |
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 | 101989528 |
| LOTUS | LTS0085408 |
| wikiData | Q104392390 |