cyclo[N(Me)Ala-Val-ObPhe(S)-ObPhe(S)-OVal]
| Internal ID | 90757c60-919d-46bc-8bb4-40b5ec70b320 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,6S,9S,13S,17S)-6,7-dimethyl-13,17-diphenyl-3,9-di(propan-2-yl)-1,10,14-trioxa-4,7-diazacycloheptadecane-2,5,8,11,15-pentone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H40N2O8/c1-19(2)28-32(39)41-25(23-15-11-8-12-16-23)18-26(35)40-24(22-13-9-7-10-14-22)17-27(36)42-29(20(3)4)31(38)34(6)21(5)30(37)33-28/h7-16,19-21,24-25,28-29H,17-18H2,1-6H3,(H,33,37)/t21-,24-,25-,28-,29-/m0/s1 |
| InChI Key | VYSFEEFWAPWAII-MKKXPZANSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H40N2O8 |
| Molecular Weight | 580.70 g/mol |
| Exact Mass | 580.27846624 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of cyclo[N(Me)Ala-Val-ObPhe(S)-ObPhe(S)-OVal]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclonmeala-val-obphes-obphes-oval.jpg "2D Structure of cyclo[N(Me)Ala-Val-ObPhe(S)-ObPhe(S)-OVal]")
| 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 | 98.55% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.58% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.12% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.11% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.16% | 93.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.39% | 90.08% |
| CHEMBL1949 | P62937 | Cyclophilin A | 88.32% | 98.57% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.55% | 93.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.49% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.61% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.29% | 85.14% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.09% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.87% | 97.09% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 82.09% | 89.92% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.98% | 88.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.53% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.44% | 93.31% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 81.39% | 96.31% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.50% | 96.47% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.35% | 93.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162898034 |
| LOTUS | LTS0085890 |
| wikiData | Q105299291 |