cyclo[Gly-DL-Phe-DL-Val-DL-Pro-DL-Phe-DL-xiThr-DL-xiIle-DL-Pro]
| Internal ID | 0cda9c50-1b9a-4463-bb55-3785aa6a715f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 9,21-dibenzyl-3-butan-2-yl-6-(1-hydroxyethyl)-18-propan-2-yl-1,4,7,10,16,19,22,25-octazatricyclo[25.3.0.012,16]triacontane-2,5,8,11,17,20,23,26-octone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H62N8O9/c1-6-27(4)37-45(62)52-21-13-19-33(52)41(58)46-25-35(55)47-31(23-29-15-9-7-10-16-29)39(56)49-36(26(2)3)44(61)53-22-14-20-34(53)42(59)48-32(24-30-17-11-8-12-18-30)40(57)51-38(28(5)54)43(60)50-37/h7-12,15-18,26-28,31-34,36-38,54H,6,13-14,19-25H2,1-5H3,(H,46,58)(H,47,55)(H,48,59)(H,49,56)(H,50,60)(H,51,57) |
| InChI Key | UYJODWDXFNUAQH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C45H62N8O9 |
| Molecular Weight | 859.00 g/mol |
| Exact Mass | 858.46397559 g/mol |
| Topological Polar Surface Area (TPSA) | 235.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of cyclo[Gly-DL-Phe-DL-Val-DL-Pro-DL-Phe-DL-xiThr-DL-xiIle-DL-Pro]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclogly-dl-phe-dl-val-dl-pro-dl-phe-dl-xithr-dl-xiile-dl-pro.jpg "2D Structure of cyclo[Gly-DL-Phe-DL-Val-DL-Pro-DL-Phe-DL-xiThr-DL-xiIle-DL-Pro]")
| 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 | 99.82% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.02% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.51% | 85.14% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.92% | 97.64% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.49% | 90.17% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.41% | 92.97% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.01% | 94.45% |
| CHEMBL4071 | P08311 | Cathepsin G | 92.93% | 94.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.53% | 95.89% |
| CHEMBL4447 | Q9Y337 | Kallikrein 5 | 91.94% | 87.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.71% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.68% | 90.08% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.94% | 82.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.07% | 95.93% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.61% | 93.03% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.75% | 97.05% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.42% | 99.18% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.00% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.96% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.96% | 93.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.59% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.34% | 97.09% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 84.33% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.80% | 86.33% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.07% | 92.67% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 80.93% | 92.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.35% | 90.00% |
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.
| Psammosilene tunicoides |
| PubChem | 77916108 |
| LOTUS | LTS0081022 |
| wikiData | Q105281533 |