cyclo[DL-Pro-DL-xiIle-DL-xiIle-DL-Pro-DL-xiIle-DL-xiThr(Unk)-DL-xiIle]
| Internal ID | 206d1308-4d53-4cb8-8ea1-3bfdcd49f6a1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 3,6,15,21-tetra(butan-2-yl)-18-[1-(2-methylbut-3-en-2-yloxy)ethyl]-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,20,23-heptone |
| SMILES (Canonical) | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)N1)C(C)CC)C(C)CC)C(C)CC)C(C)OC(C)(C)C=C |
| SMILES (Isomeric) | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)N1)C(C)CC)C(C)CC)C(C)CC)C(C)OC(C)(C)C=C |
| InChI | InChI=1S/C43H73N7O8/c1-13-24(6)31-38(53)46-33(26(8)15-3)41(56)49-22-18-21-30(49)37(52)45-32(25(7)14-2)39(54)48-35(28(10)58-43(11,12)17-5)40(55)47-34(27(9)16-4)42(57)50-23-19-20-29(50)36(51)44-31/h17,24-35H,5,13-16,18-23H2,1-4,6-12H3,(H,44,51)(H,45,52)(H,46,53)(H,47,55)(H,48,54) |
| InChI Key | RIMDKZLFKQEDBI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H73N7O8 |
| Molecular Weight | 816.10 g/mol |
| Exact Mass | 815.55206231 g/mol |
| Topological Polar Surface Area (TPSA) | 195.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Pro-DL-xiIle-DL-xiIle-DL-Pro-DL-xiIle-DL-xiThr(Unk)-DL-xiIle]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-pro-dl-xiile-dl-xiile-dl-pro-dl-xiile-dl-xithrunk-dl-xiile.jpg "2D Structure of cyclo[DL-Pro-DL-xiIle-DL-xiIle-DL-Pro-DL-xiIle-DL-xiThr(Unk)-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 | 99.02% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.61% | 97.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 96.81% | 97.05% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 96.05% | 96.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.85% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.75% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.38% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.93% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.71% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.56% | 95.89% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 91.07% | 92.97% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.60% | 99.18% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 90.59% | 94.66% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.47% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.19% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.28% | 82.38% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 88.02% | 97.47% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.56% | 91.03% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.28% | 90.93% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 85.89% | 97.50% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.87% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.14% | 93.03% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 84.02% | 92.12% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 83.57% | 94.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.30% | 97.79% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.61% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.47% | 90.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.22% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.21% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.02% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.62% | 91.11% |
| CHEMBL3837 | P07711 | Cathepsin L | 81.60% | 96.61% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.41% | 97.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.99% | 95.62% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.92% | 93.04% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.12% | 92.88% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74000100 |
| LOTUS | LTS0079866 |
| wikiData | Q105236979 |