(4-Ethylidene-12-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecan-7-yl) acetate
| Internal ID | cab0fbdb-af0b-4ea2-9875-33666626d679 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | (4-ethylidene-12-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecan-7-yl) acetate |
| SMILES (Canonical) | CC=C1CC(C(C(=O)OCC2C(CN3C2C(CC3)OC1=O)O)(C)OC(=O)C)C |
| SMILES (Isomeric) | CC=C1CC(C(C(=O)OCC2C(CN3C2C(CC3)OC1=O)O)(C)OC(=O)C)C |
| InChI | InChI=1S/C20H29NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-15(23)9-21-7-6-16(17(14)21)27-18(13)24/h5,11,14-17,23H,6-10H2,1-4H3 |
| InChI Key | DZYSFHOSCAULAC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H29NO7 |
| Molecular Weight | 395.40 g/mol |
| Exact Mass | 395.19440226 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (4-Ethylidene-12-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecan-7-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d1f8a820-83f5-11ee-a63d-83dc016e7abb.jpg "2D Structure of (4-Ethylidene-12-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecan-7-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.02% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.36% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.15% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.09% | 98.95% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 91.53% | 95.92% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.60% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.46% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.82% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.39% | 94.78% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.34% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.13% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.23% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.64% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.73% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.45% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.09% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.96% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.27% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.62% | 93.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.67% | 93.56% |
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 syringifolius |
| PubChem | 162902967 |
| LOTUS | LTS0028381 |
| wikiData | Q104992116 |