cyclo[DL-Ala-DL-xiIle-DL-xiIle-DL-Lys(butanoyl)(butanoyl)-DL-xiIle-DL-Phe-DL-Leu-DL-xiIle]
| Internal ID | f21aafe8-60d7-44aa-a006-2f10bf5704ac |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | N-[4-[8-benzyl-5,14,20,23-tetra(butan-2-yl)-17-methyl-11-(2-methylpropyl)-3,6,9,12,15,18,21,24-octaoxo-1,4,7,10,13,16,19,22-octazacyclotetracos-2-yl]butyl]butanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C52H87N9O9/c1-13-23-40(62)53-27-22-21-26-37-46(64)59-42(32(9)15-3)51(69)57-39(29-36-24-19-18-20-25-36)47(65)56-38(28-30(6)7)48(66)60-41(31(8)14-2)49(67)54-35(12)45(63)58-44(34(11)17-5)52(70)61-43(33(10)16-4)50(68)55-37/h18-20,24-25,30-35,37-39,41-44H,13-17,21-23,26-29H2,1-12H3,(H,53,62)(H,54,67)(H,55,68)(H,56,65)(H,57,69)(H,58,63)(H,59,64)(H,60,66)(H,61,70) |
| InChI Key | WURSEHDWECCEJW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C52H87N9O9 |
| Molecular Weight | 982.30 g/mol |
| Exact Mass | 981.66267539 g/mol |
| Topological Polar Surface Area (TPSA) | 262.00 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Ala-DL-xiIle-DL-xiIle-DL-Lys(butanoyl)(butanoyl)-DL-xiIle-DL-Phe-DL-Leu-DL-xiIle]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-ala-dl-xiile-dl-xiile-dl-lysbutanoyl-dl-xiile-dl-phe-dl-leu-dl-xiile.jpg "2D Structure of cyclo[DL-Ala-DL-xiIle-DL-xiIle-DL-Lys(butanoyl)(butanoyl)-DL-xiIle-DL-Phe-DL-Leu-DL-xiIle]")
| 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% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.77% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.93% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.17% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.87% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.02% | 99.17% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.60% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.07% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.51% | 99.23% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.87% | 85.31% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.44% | 90.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.09% | 98.75% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.61% | 94.45% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.74% | 92.67% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.81% | 96.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.80% | 97.79% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.21% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.87% | 94.45% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.70% | 90.24% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.85% | 94.75% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.67% | 97.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.07% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.93% | 97.23% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 80.85% | 90.24% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.35% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.27% | 90.20% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.10% | 96.90% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.09% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162815589 |
| LOTUS | LTS0072644 |
| wikiData | Q104200653 |