2-(7,14-Dimethyl-11-methylidene-2,5,8,13-tetraoxo-15-pentadecan-2-yl-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl)-2-hydroxyacetamide
| Internal ID | e186140f-b4cb-48c6-b959-d3eb82cd8113 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 2-(7,14-dimethyl-11-methylidene-2,5,8,13-tetraoxo-15-pentadecan-2-yl-1-oxa-4,7,12-triazacyclopentadec-9-en-3-yl)-2-hydroxyacetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H52N4O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-21(2)28-23(4)30(40)33-22(3)18-19-25(37)35(5)20-24(36)34-26(31(41)42-28)27(38)29(32)39/h18-19,21,23,26-28,38H,3,6-17,20H2,1-2,4-5H3,(H2,32,39)(H,33,40)(H,34,36) |
| InChI Key | WOXCELHTRBXQRH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H52N4O7 |
| Molecular Weight | 592.80 g/mol |
| Exact Mass | 592.38360001 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | 6.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.18% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.46% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.19% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.54% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.43% | 94.45% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.05% | 91.81% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.99% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.51% | 89.63% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.11% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.94% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.19% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.34% | 90.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.23% | 98.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.15% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.99% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.84% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.62% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.40% | 90.17% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.11% | 88.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.54% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.50% | 83.82% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.36% | 92.86% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.57% | 89.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.76% | 94.66% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.57% | 93.18% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.27% | 95.00% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 81.73% | 90.24% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.16% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.61% | 96.47% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162815506 |
| LOTUS | LTS0077099 |
| wikiData | Q104200479 |