cyclo[DL-Ala-DL-xiIle-DL-xiIle-DL-Phe-DL-Val-DL-Leu-DL-Phe]
| Internal ID | a6afb3d3-f57b-4f5c-b1d3-0e90efdc8d27 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 3,15-dibenzyl-6,9-di(butan-2-yl)-12-methyl-18-(2-methylpropyl)-21-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H65N7O7/c1-10-27(7)36-43(57)48-34(24-31-20-16-13-17-21-31)41(55)49-35(26(5)6)42(56)47-32(22-25(3)4)40(54)46-33(23-30-18-14-12-15-19-30)39(53)45-29(9)38(52)50-37(28(8)11-2)44(58)51-36/h12-21,25-29,32-37H,10-11,22-24H2,1-9H3,(H,45,53)(H,46,54)(H,47,56)(H,48,57)(H,49,55)(H,50,52)(H,51,58) |
| InChI Key | BIFRDWYFLXYEGO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H65N7O7 |
| Molecular Weight | 804.00 g/mol |
| Exact Mass | 803.49454744 g/mol |
| Topological Polar Surface Area (TPSA) | 204.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Ala-DL-xiIle-DL-xiIle-DL-Phe-DL-Val-DL-Leu-DL-Phe]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-ala-dl-xiile-dl-xiile-dl-phe-dl-val-dl-leu-dl-phe.jpg "2D Structure of cyclo[DL-Ala-DL-xiIle-DL-xiIle-DL-Phe-DL-Val-DL-Leu-DL-Phe]")
| 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 | 99.43% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.56% | 90.17% |
| CHEMBL1949 | P62937 | Cyclophilin A | 92.67% | 98.57% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.44% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.39% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.65% | 94.75% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.06% | 97.64% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.90% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.52% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.41% | 91.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.18% | 90.08% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.28% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.97% | 94.73% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.50% | 92.67% |
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 | 162815777 |
| LOTUS | LTS0196279 |
| wikiData | Q103816767 |