(5,7,8-Trimethyl-3,9-dioxo-2,10-dioxa-15-azatricyclo[10.5.1.015,18]octadec-4-en-8-yl) acetate
| Internal ID | dcbbc376-e9d0-4632-9e3a-f3780e4c27a7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | (5,7,8-trimethyl-3,9-dioxo-2,10-dioxa-15-azatricyclo[10.5.1.015,18]octadec-4-en-8-yl) acetate |
| SMILES (Canonical) | CC1CC(=CC(=O)OC2CCN3C2C(CC3)COC(=O)C1(C)OC(=O)C)C |
| SMILES (Isomeric) | CC1CC(=CC(=O)OC2CCN3C2C(CC3)COC(=O)C1(C)OC(=O)C)C |
| InChI | InChI=1S/C20H29NO6/c1-12-9-13(2)20(4,27-14(3)22)19(24)25-11-15-5-7-21-8-6-16(18(15)21)26-17(23)10-12/h10,13,15-16,18H,5-9,11H2,1-4H3 |
| InChI Key | SQXZSOKMIUYJBP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H29NO6 |
| Molecular Weight | 379.40 g/mol |
| Exact Mass | 379.19948764 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (5,7,8-Trimethyl-3,9-dioxo-2,10-dioxa-15-azatricyclo[10.5.1.015,18]octadec-4-en-8-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/578-trimethyl-39-dioxo-210-dioxa-15-azatricyclo105101518octadec-4-en-8-yl-acetate.jpg "2D Structure of (5,7,8-Trimethyl-3,9-dioxo-2,10-dioxa-15-azatricyclo[10.5.1.015,18]octadec-4-en-8-yl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.63% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.79% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.02% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.18% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.08% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.79% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.92% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.75% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.23% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.03% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.03% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.61% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.75% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.84% | 91.19% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.73% | 93.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.07% | 91.11% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.31% | 94.78% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.01% | 86.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.98% | 97.14% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.65% | 98.99% |
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.
| Senecio callosus |
| PubChem | 85250794 |
| LOTUS | LTS0075147 |
| wikiData | Q105258763 |