cyclo[DL-Leu-ObAla(3-pentyl)-DL-Leu-DL-Ser-ObAla(3-heptyl)-DL-Ser]
| Internal ID | 11ff12e7-d863-4b3e-aacd-498bf1665aca |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 20-heptyl-3,16-bis(hydroxymethyl)-6,13-bis(2-methylpropyl)-10-pentyl-1,11-dioxa-4,7,14,17-tetrazacycloicosane-2,5,8,12,15,18-hexone |
| SMILES (Canonical) | CCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)OC(CC(=O)NC(C(=O)NC(C(=O)O1)CO)CC(C)C)CCCCC)CC(C)C)CO |
| SMILES (Isomeric) | CCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)OC(CC(=O)NC(C(=O)NC(C(=O)O1)CO)CC(C)C)CCCCC)CC(C)C)CO |
| InChI | InChI=1S/C36H64N4O10/c1-7-9-11-12-14-16-26-20-32(44)38-29(21-41)34(46)39-28(18-24(5)6)35(47)49-25(15-13-10-8-2)19-31(43)37-27(17-23(3)4)33(45)40-30(22-42)36(48)50-26/h23-30,41-42H,7-22H2,1-6H3,(H,37,43)(H,38,44)(H,39,46)(H,40,45) |
| InChI Key | YCLORVUKJQGWLJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C36H64N4O10 |
| Molecular Weight | 712.90 g/mol |
| Exact Mass | 712.46224425 g/mol |
| Topological Polar Surface Area (TPSA) | 210.00 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of cyclo[DL-Leu-ObAla(3-pentyl)-DL-Leu-DL-Ser-ObAla(3-heptyl)-DL-Ser]](https://plantaedb.com/storage/docs/compounds/2023/11/cyclodl-leu-obala3-pentyl-dl-leu-dl-ser-obala3-heptyl-dl-ser.jpg "2D Structure of cyclo[DL-Leu-ObAla(3-pentyl)-DL-Leu-DL-Ser-ObAla(3-heptyl)-DL-Ser]")
| 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 | 98.95% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.06% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.77% | 89.63% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.52% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 96.47% | 98.03% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.52% | 97.29% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 94.77% | 90.08% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 94.46% | 90.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.62% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.10% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.80% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.59% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.83% | 91.11% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 89.50% | 92.97% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.41% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.70% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.13% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.89% | 92.88% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.74% | 88.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.39% | 97.64% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 86.06% | 95.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.31% | 91.81% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.75% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.95% | 94.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.86% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.57% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.70% | 99.23% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.53% | 92.86% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.34% | 96.90% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.36% | 90.71% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.73% | 92.32% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73237634 |
| LOTUS | LTS0073604 |
| wikiData | Q104246768 |