cyclo[DL-Ala-DL-Leu-ObAla(3-pentyl)-DL-Phe-DL-Leu]
| Internal ID | 0233769f-9907-4607-b1ec-2b8c6289fec3 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 12-benzyl-6-methyl-3,9-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone |
| SMILES (Canonical) | CCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CC(C)C)C)CC(C)C)CC2=CC=CC=C2 |
| SMILES (Isomeric) | CCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CC(C)C)C)CC(C)C)CC2=CC=CC=C2 |
| InChI | InChI=1S/C32H50N4O6/c1-7-8-10-15-24-19-28(37)34-26(18-23-13-11-9-12-14-23)31(40)35-25(16-20(2)3)30(39)33-22(6)29(38)36-27(17-21(4)5)32(41)42-24/h9,11-14,20-22,24-27H,7-8,10,15-19H2,1-6H3,(H,33,39)(H,34,37)(H,35,40)(H,36,38) |
| InChI Key | HDDHDDSDLAXXTL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H50N4O6 |
| Molecular Weight | 586.80 g/mol |
| Exact Mass | 586.37303533 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Ala-DL-Leu-ObAla(3-pentyl)-DL-Phe-DL-Leu]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-ala-dl-leu-obala3-pentyl-dl-phe-dl-leu.jpg "2D Structure of cyclo[DL-Ala-DL-Leu-ObAla(3-pentyl)-DL-Phe-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 | 99.79% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.43% | 97.25% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 96.27% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.19% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.38% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.14% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.31% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.79% | 94.73% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 88.35% | 90.24% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.95% | 90.08% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.87% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.59% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.32% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.76% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.90% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.87% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.23% | 91.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.65% | 82.38% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.61% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.95% | 94.45% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 81.91% | 98.89% |
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 | 162948264 |
| LOTUS | LTS0135050 |
| wikiData | Q104167722 |