cyclo[DL-Ala-DL-Leu-ObAla(3-oct-2-yl)-DL-Phe]
| Internal ID | b4e397e0-7d1a-4307-b5d5-26040a6f832a |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 9-benzyl-6-methyl-3-(2-methylpropyl)-13-octan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H45N3O5/c1-6-7-8-10-13-20(4)25-18-26(33)31-23(17-22-14-11-9-12-15-22)28(35)30-21(5)27(34)32-24(16-19(2)3)29(36)37-25/h9,11-12,14-15,19-21,23-25H,6-8,10,13,16-18H2,1-5H3,(H,30,35)(H,31,33)(H,32,34) |
| InChI Key | GWWZRNBLQTXNPF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H45N3O5 |
| Molecular Weight | 515.70 g/mol |
| Exact Mass | 515.33592154 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Ala-DL-Leu-ObAla(3-oct-2-yl)-DL-Phe]](https://plantaedb.com/storage/docs/compounds/2023/11/ba7bcd10-8636-11ee-8d99-0b9490a8d7ee.jpg "2D Structure of cyclo[DL-Ala-DL-Leu-ObAla(3-oct-2-yl)-DL-Phe]")
| 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 | 99.79% | 98.95% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 96.56% | 97.64% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.07% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.19% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.16% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.22% | 93.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.65% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.09% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.86% | 90.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.19% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.49% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.18% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.52% | 96.47% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 87.39% | 98.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.23% | 91.11% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 86.73% | 90.24% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.62% | 85.94% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.23% | 96.61% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.20% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.04% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.02% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.97% | 91.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.88% | 93.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.78% | 91.81% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.90% | 100.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.12% | 92.97% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.06% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.95% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.69% | 82.38% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.47% | 97.05% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162924994 |
| LOTUS | LTS0124240 |
| wikiData | Q104167552 |