Destruxin A
| Internal ID | 40d714b6-43a6-4ca8-b5a6-f44617bdbdae |
| 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-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone |
| SMILES (Canonical) | CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC=C)C)C)C(C)C)C |
| SMILES (Isomeric) | CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)CC=C)C)C)C(C)C)C |
| InChI | InChI=1S/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)/t18-,19-,20-,21+,23-,24-/m0/s1 |
| InChI Key | XIYSEKITPHTMJT-OCCJOITDSA-N |
| Popularity | 39 references in papers |
| Molecular Formula | C29H47N5O7 |
| Molecular Weight | 577.70 g/mol |
| Exact Mass | 577.34754886 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 2.30 |
| 6686-70-0 |
| 255H1K2LFG |
| (3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone |
| UNII-255H1K2LFG |
| NSC-361126 |
| Destruxin A from Metarrhizium anisopliae |
| NSC 361126 |
| DESTRUXIN DA |
| BRN 0601694 |
| CHEMBL4524055 |
| 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 | 98.93% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.49% | 97.25% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 98.00% | 96.31% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 97.69% | 94.66% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.56% | 90.08% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 95.33% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.53% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.21% | 94.75% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.24% | 92.97% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 92.54% | 92.12% |
| CHEMBL228 | P31645 | Serotonin transporter | 92.29% | 95.51% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 92.10% | 94.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.60% | 97.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.96% | 82.38% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.89% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.65% | 95.89% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 90.25% | 97.50% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.05% | 98.59% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.72% | 98.03% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.71% | 99.18% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 89.47% | 95.92% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 87.92% | 92.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.78% | 93.40% |
| CHEMBL3837 | P07711 | Cathepsin L | 87.76% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.45% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.38% | 93.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.12% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.36% | 89.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.92% | 91.03% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.87% | 95.62% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.71% | 90.24% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.57% | 97.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.54% | 90.71% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.11% | 88.56% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 83.73% | 94.00% |
| CHEMBL1949 | P62937 | Cyclophilin A | 83.45% | 98.57% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.19% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.03% | 96.47% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.62% | 95.34% |
| CHEMBL3691 | Q13822 | Autotaxin | 82.61% | 96.39% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.38% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.98% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.78% | 86.33% |
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 | 11421831 |
| LOTUS | LTS0136046 |
| wikiData | Q27253912 |