cyclo[N(Me)Ala-bAla-OLeu-Pro-Val-N(Me)Val]
| Internal ID | 0e0d49f7-eef9-474c-8e9a-9c2fe9295d14 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,10S,13S,16S,19S)-10,11,14-trimethyl-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/C29H49N5O7/c1-16(2)15-21-27(38)34-14-10-11-20(34)26(37)31-23(17(3)4)28(39)33(9)24(18(5)6)29(40)32(8)19(7)25(36)30-13-12-22(35)41-21/h16-21,23-24H,10-15H2,1-9H3,(H,30,36)(H,31,37)/t19-,20-,21-,23-,24-/m0/s1 |
| InChI Key | BHOYUZRQFBRFCM-AIOUOIRPSA-N |
| Popularity | 2 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 | 2.50 |
| There are no found synonyms. |
![2D Structure of cyclo[N(Me)Ala-bAla-OLeu-Pro-Val-N(Me)Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclonmeala-bala-oleu-pro-val-nmeval.jpg "2D Structure of cyclo[N(Me)Ala-bAla-OLeu-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 | 98.95% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.98% | 97.25% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 97.57% | 96.31% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.39% | 90.08% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 96.54% | 94.66% |
| CHEMBL3837 | P07711 | Cathepsin L | 96.26% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.11% | 96.09% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 95.44% | 94.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.37% | 97.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.20% | 92.97% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.27% | 97.05% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.93% | 98.59% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.20% | 99.18% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.21% | 85.14% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.15% | 95.51% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.96% | 90.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.94% | 82.38% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.43% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.41% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.31% | 95.93% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 88.17% | 92.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.63% | 88.56% |
| CHEMBL204 | P00734 | Thrombin | 87.53% | 96.01% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.74% | 95.62% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 86.45% | 97.50% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.29% | 93.67% |
| CHEMBL1949 | P62937 | Cyclophilin A | 86.16% | 98.57% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.01% | 95.56% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 85.72% | 92.12% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.60% | 90.24% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.17% | 94.75% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 83.04% | 95.92% |
| CHEMBL3691 | Q13822 | Autotaxin | 83.03% | 96.39% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.40% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.84% | 89.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.74% | 90.93% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.45% | 95.34% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.05% | 97.56% |
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.
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| There are no matching plants. |
| PubChem | 162998447 |
| LOTUS | LTS0202746 |
| wikiData | Q104936138 |