cyclo[DL-N(Me)Asp-DL-N(Me)xiIle-DL-N(Me)xiIle-Gly-DL-N(Me)Val-DL-Tyr(Me)-DL-OVal-DL-Pro-DL-N(Me)Val-DL-Val]
| Internal ID | b03d54d7-a3e5-4d3a-aac9-7952dfe42e36 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 2-[15,18-di(butan-2-yl)-6-[(4-methoxyphenyl)methyl]-10,16,19,22,28-pentamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-3,9,24,27-tetra(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.3.0]tritriacontan-21-yl]acetic acid |
| SMILES (Canonical) | CCC(C)C1C(=O)NCC(=O)N(C(C(=O)NC(C(=O)OC(C(=O)N2CCCC2C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)CC)C)CC(=O)O)C)C(C)C)C(C)C)C)C(C)C)CC3=CC=C(C=C3)OC)C(C)C)C |
| SMILES (Isomeric) | CCC(C)C1C(=O)NCC(=O)N(C(C(=O)NC(C(=O)OC(C(=O)N2CCCC2C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)CC)C)CC(=O)O)C)C(C)C)C(C)C)C)C(C)C)CC3=CC=C(C=C3)OC)C(C)C)C |
| InChI | InChI=1S/C58H93N9O14/c1-19-35(11)47-50(71)59-30-42(68)63(14)45(32(5)6)51(72)60-39(28-37-23-25-38(80-18)26-24-37)58(79)81-49(34(9)10)57(78)67-27-21-22-40(67)53(74)64(15)46(33(7)8)52(73)61-44(31(3)4)55(76)62(13)41(29-43(69)70)54(75)66(17)48(36(12)20-2)56(77)65(47)16/h23-26,31-36,39-41,44-49H,19-22,27-30H2,1-18H3,(H,59,71)(H,60,72)(H,61,73)(H,69,70) |
| InChI Key | IGPFOHANIKPCAO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C58H93N9O14 |
| Molecular Weight | 1140.40 g/mol |
| Exact Mass | 1139.68419867 g/mol |
| Topological Polar Surface Area (TPSA) | 282.00 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-N(Me)Asp-DL-N(Me)xiIle-DL-N(Me)xiIle-Gly-DL-N(Me)Val-DL-Tyr(Me)-DL-OVal-DL-Pro-DL-N(Me)Val-DL-Val]](https://plantaedb.com/storage/docs/compounds/2023/11/baefbc70-8705-11ee-89da-258ee9688e78.jpg "2D Structure of cyclo[DL-N(Me)Asp-DL-N(Me)xiIle-DL-N(Me)xiIle-Gly-DL-N(Me)Val-DL-Tyr(Me)-DL-OVal-DL-Pro-DL-N(Me)Val-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.68% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.60% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.57% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.96% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.47% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.23% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 95.01% | 82.38% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.89% | 96.61% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.51% | 90.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 94.25% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.20% | 90.17% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.28% | 94.66% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.12% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.65% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.27% | 97.14% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 88.06% | 96.31% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.99% | 90.24% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.92% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.31% | 90.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.64% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.46% | 97.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.06% | 99.18% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 85.00% | 96.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.99% | 86.33% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 84.39% | 94.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.06% | 93.31% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 82.76% | 92.00% |
| CHEMBL1801 | P00747 | Plasminogen | 82.45% | 92.44% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.44% | 91.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.34% | 99.17% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.05% | 95.00% |
| CHEMBL4071 | P08311 | Cathepsin G | 80.70% | 94.64% |
| CHEMBL209 | P07477 | Trypsin I | 80.53% | 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.
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| There are no matching plants. |
| PubChem | 162948731 |
| LOTUS | LTS0127810 |
| wikiData | Q104168770 |