cyclo[DL-Leu-bAla-DL-OLeu-DL-Pro-DL-Tyr-DL-N(Me)Val]
| Internal ID | 6289a745-bcc1-4990-9171-bb178c735f8d |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 16-[(4-hydroxyphenyl)methyl]-14-methyl-3,10-bis(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone |
| SMILES (Canonical) | CC(C)CC1C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)N1)C(C)C)C)CC3=CC=C(C=C3)O)CC(C)C |
| SMILES (Isomeric) | CC(C)CC1C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)N1)C(C)C)C)CC3=CC=C(C=C3)O)CC(C)C |
| InChI | InChI=1S/C35H53N5O8/c1-20(2)17-25-31(43)36-15-14-29(42)48-28(18-21(3)4)35(47)40-16-8-9-27(40)32(44)38-26(19-23-10-12-24(41)13-11-23)34(46)39(7)30(22(5)6)33(45)37-25/h10-13,20-22,25-28,30,41H,8-9,14-19H2,1-7H3,(H,36,43)(H,37,45)(H,38,44) |
| InChI Key | HHULIGBQYWXQSW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H53N5O8 |
| Molecular Weight | 671.80 g/mol |
| Exact Mass | 671.38941367 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Leu-bAla-DL-OLeu-DL-Pro-DL-Tyr-DL-N(Me)Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-leu-bala-dl-oleu-dl-pro-dl-tyr-dl-nmeval.jpg "2D Structure of cyclo[DL-Leu-bAla-DL-OLeu-DL-Pro-DL-Tyr-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 | 99.76% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.81% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.35% | 94.45% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 95.20% | 90.93% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 94.02% | 82.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.79% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.27% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.37% | 97.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 92.13% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.05% | 85.14% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 91.03% | 92.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.66% | 95.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.32% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.99% | 91.11% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.68% | 89.67% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 88.45% | 96.69% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 88.43% | 85.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.96% | 88.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.78% | 90.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.53% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.30% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.88% | 95.93% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.12% | 95.34% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 83.99% | 96.31% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.96% | 97.64% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.80% | 98.59% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.78% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.37% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.07% | 90.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.06% | 93.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.31% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.24% | 99.18% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163064195 |
| LOTUS | LTS0042260 |
| wikiData | Q104167877 |