cyclo[DL-Asp-DL-Leu-DL-xiIle-ObAla(3-isododecyl)-DL-Gln-DL-Leu-DL-Leu-DL-Val]
| Internal ID | 3b89c3d1-2463-42c0-b5b9-cfc59ee6a13b |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 2-[21-(3-amino-3-oxopropyl)-3-butan-2-yl-6,15,18-tris(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-9-yl]acetic acid |
| SMILES (Canonical) | CCC(C)C1C(=O)OC(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)N)CCCCCCCCCC(C)C |
| SMILES (Isomeric) | CCC(C)C1C(=O)OC(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)N)CCCCCCCCCC(C)C |
| InChI | InChI=1S/C53H94N8O12/c1-13-35(12)46-53(72)73-36(22-20-18-16-14-15-17-19-21-30(2)3)28-43(63)55-37(23-24-42(54)62)47(66)56-38(25-31(4)5)48(67)57-39(26-32(6)7)50(69)60-45(34(10)11)52(71)59-41(29-44(64)65)49(68)58-40(27-33(8)9)51(70)61-46/h30-41,45-46H,13-29H2,1-12H3,(H2,54,62)(H,55,63)(H,56,66)(H,57,67)(H,58,68)(H,59,71)(H,60,69)(H,61,70)(H,64,65) |
| InChI Key | UFXZNDDRRLHZPP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C53H94N8O12 |
| Molecular Weight | 1035.40 g/mol |
| Exact Mass | 1034.69912046 g/mol |
| Topological Polar Surface Area (TPSA) | 310.00 Ų |
| XlogP | 8.20 |
| NCGC00180265-01 |
| BRD-A13028735-001-01-3 |
![2D Structure of cyclo[DL-Asp-DL-Leu-DL-xiIle-ObAla(3-isododecyl)-DL-Gln-DL-Leu-DL-Leu-DL-Val]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-asp-dl-leu-dl-xiile-obala3-isododecyl-dl-gln-dl-leu-dl-leu-dl-val.jpg "2D Structure of cyclo[DL-Asp-DL-Leu-DL-xiIle-ObAla(3-isododecyl)-DL-Gln-DL-Leu-DL-Leu-DL-Val]")
| 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 |
|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.02% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.88% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.89% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 96.47% | 96.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.11% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.97% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.47% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.30% | 97.09% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 92.96% | 95.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.68% | 90.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.39% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.45% | 93.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.07% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.07% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.71% | 82.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.36% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.85% | 98.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.61% | 93.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 87.24% | 92.32% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.27% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.08% | 90.71% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.16% | 98.75% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.98% | 97.29% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.46% | 97.25% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.36% | 95.71% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 82.77% | 96.11% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.58% | 100.00% |
| CHEMBL4071 | P08311 | Cathepsin G | 82.07% | 94.64% |
| CHEMBL1949 | P62937 | Cyclophilin A | 81.76% | 98.57% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.28% | 99.23% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 81.07% | 94.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.75% | 97.64% |
| CHEMBL209 | P07477 | Trypsin I | 80.63% | 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.
| There are no matching plants. |
| PubChem | 9854730 |
| LOTUS | LTS0185062 |
| wikiData | Q104198175 |