9-Benzyl-3-butan-2-yl-6-methyl-13-octyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
| Internal ID | 3122063e-f6b0-43ad-865b-beef008d302f |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 9-benzyl-3-butan-2-yl-6-methyl-13-octyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H45N3O5/c1-5-7-8-9-10-14-17-23-19-25(33)31-24(18-22-15-12-11-13-16-22)28(35)30-21(4)27(34)32-26(20(3)6-2)29(36)37-23/h11-13,15-16,20-21,23-24,26H,5-10,14,17-19H2,1-4H3,(H,30,35)(H,31,33)(H,32,34) |
| InChI Key | GGMZKYBWOCEFFP-UHFFFAOYSA-N |
| Popularity | 0 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 | 6.00 |
| There are no found synonyms. |
| 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 | 99.67% | 98.95% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.02% | 97.64% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.50% | 90.08% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.15% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.10% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.42% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.12% | 92.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.86% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.63% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.53% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.38% | 96.47% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 87.36% | 90.24% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.35% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.05% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.83% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.39% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.19% | 93.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.99% | 82.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.55% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.51% | 94.45% |
| CHEMBL1949 | P62937 | Cyclophilin A | 82.95% | 98.57% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.76% | 95.89% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.48% | 95.48% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.21% | 91.71% |
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 | 163000348 |
| LOTUS | LTS0064209 |
| wikiData | Q105008208 |