cyclo[DL-Asp-DL-Leu-DL-Val-ObAla(3-isododecyl)-DL-Glu-DL-Leu-DL-Leu-DL-Leu]
| Internal ID | 67e99323-478a-44d9-b773-7c988239a5a8 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3-[9-(carboxymethyl)-6,12,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid |
| SMILES (Canonical) | CC(C)CCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)CC(C)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCC(=O)O |
| SMILES (Isomeric) | CC(C)CCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)CC(C)C)CC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCC(=O)O |
| InChI | InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)56-39(25-32(5)6)49(68)57-40(26-33(7)8)50(69)59-42(29-45(64)65)51(70)58-41(27-34(9)10)52(71)60-46(35(11)12)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,67)(H,57,68)(H,58,70)(H,59,69)(H,60,71)(H,62,63)(H,64,65) |
| InChI Key | YYDHQQDSOVDOJR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C53H93N7O13 |
| Molecular Weight | 1036.30 g/mol |
| Exact Mass | 1035.68313605 g/mol |
| Topological Polar Surface Area (TPSA) | 305.00 Ų |
| XlogP | 8.80 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Asp-DL-Leu-DL-Val-ObAla(3-isododecyl)-DL-Glu-DL-Leu-DL-Leu-DL-Leu]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-asp-dl-leu-dl-val-obala3-isododecyl-dl-glu-dl-leu-dl-leu-dl-leu.jpg "2D Structure of cyclo[DL-Asp-DL-Leu-DL-Val-ObAla(3-isododecyl)-DL-Glu-DL-Leu-DL-Leu-DL-Leu]")
| 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 | 98.96% | 98.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 98.32% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 96.62% | 90.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.58% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.77% | 85.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 94.19% | 96.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.71% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.13% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.07% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.91% | 94.45% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 90.24% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.38% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.08% | 88.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.24% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.13% | 93.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.80% | 82.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.42% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.70% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.54% | 100.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.82% | 92.32% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.18% | 95.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.11% | 99.23% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.72% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.55% | 93.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.03% | 96.90% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.93% | 92.97% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.88% | 91.19% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.11% | 85.31% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.06% | 99.35% |
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.
| There are no matching plants. |
| PubChem | 14732357 |
| LOTUS | LTS0208828 |
| wikiData | Q105368448 |