cyclo[DL-Asp-DL-Pro-DL-Phe-DL-Pro-DL-Phe-DL-Pro-DL-xiIle-DL-Tyr]
| Internal ID | 3483ec96-f069-4356-a3dd-e642d4f517a7 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[3,12-dibenzyl-27-butan-2-yl-24-[(4-hydroxyphenyl)methyl]-2,5,11,14,20,23,26,29-octaoxo-1,4,10,13,19,22,25,28-octazatetracyclo[28.3.0.06,10.015,19]tritriacontan-21-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C52H64N8O11/c1-3-31(2)44-49(68)53-36(27-34-20-22-35(61)23-21-34)45(64)54-39(30-43(62)63)52(71)59-25-11-18-41(59)47(66)55-37(28-32-13-6-4-7-14-32)50(69)58-24-10-17-40(58)46(65)56-38(29-33-15-8-5-9-16-33)51(70)60-26-12-19-42(60)48(67)57-44/h4-9,13-16,20-23,31,36-42,44,61H,3,10-12,17-19,24-30H2,1-2H3,(H,53,68)(H,54,64)(H,55,66)(H,56,65)(H,57,67)(H,62,63) |
| InChI Key | FIXWXXJYESHAJF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C52H64N8O11 |
| Molecular Weight | 977.10 g/mol |
| Exact Mass | 976.46945489 g/mol |
| Topological Polar Surface Area (TPSA) | 264.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Asp-DL-Pro-DL-Phe-DL-Pro-DL-Phe-DL-Pro-DL-xiIle-DL-Tyr]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-asp-dl-pro-dl-phe-dl-pro-dl-phe-dl-pro-dl-xiile-dl-tyr.jpg "2D Structure of cyclo[DL-Asp-DL-Pro-DL-Phe-DL-Pro-DL-Phe-DL-Pro-DL-xiIle-DL-Tyr]")
| 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 | 99.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.42% | 96.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 96.12% | 82.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.71% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.31% | 90.08% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.85% | 97.64% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.59% | 85.14% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 93.12% | 90.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.24% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.95% | 95.89% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 89.21% | 92.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.52% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.33% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.09% | 93.00% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 86.88% | 90.65% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.34% | 91.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.44% | 90.17% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.22% | 92.97% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.94% | 97.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.26% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.84% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.66% | 95.89% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 81.57% | 95.48% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.11% | 95.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.64% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.21% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.04% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.03% | 90.71% |
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.
| Sagina japonica |
| PubChem | 163049658 |
| LOTUS | LTS0199442 |
| wikiData | Q104995924 |