(3R,6S,9E)-14-(1-hydroxy-4-methyldecan-3-yl)-6-methyl-11-methylidene-3-propan-2-yl-1-oxa-4,7,12-triazacyclotetradec-9-ene-2,5,8,13-tetrone
| Internal ID | 992c1a97-aad7-4178-bb62-b276b7151326 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3R,6S,9E)-14-(1-hydroxy-4-methyldecan-3-yl)-6-methyl-11-methylidene-3-propan-2-yl-1-oxa-4,7,12-triazacyclotetradec-9-ene-2,5,8,13-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H43N3O6/c1-7-8-9-10-11-17(4)20(14-15-30)23-25(33)27-18(5)12-13-21(31)28-19(6)24(32)29-22(16(2)3)26(34)35-23/h12-13,16-17,19-20,22-23,30H,5,7-11,14-15H2,1-4,6H3,(H,27,33)(H,28,31)(H,29,32)/b13-12+/t17?,19-,20?,22+,23?/m0/s1 |
| InChI Key | QWBWNXCMGNCVQC-OIXFFAKGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H43N3O6 |
| Molecular Weight | 493.60 g/mol |
| Exact Mass | 493.31518610 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 4.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.10% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.06% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.01% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.89% | 97.29% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.10% | 90.08% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 92.62% | 92.88% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.53% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.39% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.02% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.80% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.34% | 90.71% |
| CHEMBL1949 | P62937 | Cyclophilin A | 89.01% | 98.57% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 88.04% | 88.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.47% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.70% | 93.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.44% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.01% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.96% | 94.73% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.89% | 96.61% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.46% | 87.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.22% | 93.31% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 84.02% | 94.01% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.86% | 89.67% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.64% | 92.86% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.48% | 96.47% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.30% | 85.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.06% | 95.56% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.46% | 96.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.37% | 93.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.03% | 100.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 81.94% | 99.43% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.84% | 91.81% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.58% | 97.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.97% | 96.90% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 80.63% | 90.24% |
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 | 139583249 |
| LOTUS | LTS0219847 |
| wikiData | Q75057861 |