Destruxin E
| Internal ID | 27be8ee5-285b-4770-b5a7-597f8e85c322 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-3-[[(2S)-oxiran-2-yl]methyl]-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H47N5O8/c1-8-17(4)23-28(39)33(7)24(16(2)3)29(40)32(6)18(5)25(36)30-12-11-22(35)42-21(14-19-15-41-19)27(38)34-13-9-10-20(34)26(37)31-23/h16-21,23-24H,8-15H2,1-7H3,(H,30,36)(H,31,37)/t17-,18-,19-,20-,21+,23-,24-/m0/s1 |
| InChI Key | NIAYGGCQOYIHAF-OHOJESAGSA-N |
| Popularity | 41 references in papers |
| Molecular Formula | C29H47N5O8 |
| Molecular Weight | 593.70 g/mol |
| Exact Mass | 593.34246347 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 1.20 |
| Destruxin DE |
| Y168EWU66T |
| 76689-14-0 |
| E-Destruxin |
| (3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-3-[[(2S)-oxiran-2-yl]methyl]-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone |
| UNII-Y168EWU66T |
| DESTRUXIN E, (-)- |
| CHEBI:188838 |
| GLXC-26433 |
| SB-242539 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.10% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.41% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.29% | 90.08% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 97.12% | 96.31% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 96.44% | 98.59% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 95.99% | 94.66% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.92% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.37% | 97.09% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 93.20% | 94.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.74% | 95.93% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 92.10% | 90.24% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 91.98% | 92.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 91.53% | 82.38% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.17% | 99.18% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 90.13% | 92.97% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 90.08% | 97.50% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.76% | 97.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.14% | 90.71% |
| CHEMBL228 | P31645 | Serotonin transporter | 87.71% | 95.51% |
| CHEMBL3837 | P07711 | Cathepsin L | 87.54% | 96.61% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.54% | 95.92% |
| CHEMBL3691 | Q13822 | Autotaxin | 86.55% | 96.39% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 86.33% | 95.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.14% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.65% | 97.79% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.52% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.51% | 95.89% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 85.10% | 92.12% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.81% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.66% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.52% | 95.62% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.23% | 88.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.95% | 93.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.68% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.86% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.35% | 94.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.14% | 93.65% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 80.08% | 94.00% |
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 | 46934590 |
| LOTUS | LTS0081134 |
| wikiData | Q27294124 |