[(1R,6R,8R,9E)-4,13-dimethyl-2-oxo-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-8-yl] acetate
| Internal ID | 4994e7ee-4574-40f1-a6b9-39a3c7169558 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | [(1R,6R,8R,9E)-4,13-dimethyl-2-oxo-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-8-yl] acetate |
| SMILES (Canonical) | CC1=CC(=O)C23CCCN(CCC=C2C(CC3C1)OC(=O)C)C |
| SMILES (Isomeric) | CC1=CC(=O)[C@@]/23CCCN(CC/C=C2/[C@@H](C[C@H]3C1)OC(=O)C)C |
| InChI | InChI=1S/C19H27NO3/c1-13-10-15-12-17(23-14(2)21)16-6-4-8-20(3)9-5-7-19(15,16)18(22)11-13/h6,11,15,17H,4-5,7-10,12H2,1-3H3/b16-6-/t15-,17-,19-/m1/s1 |
| InChI Key | LNHSQQAPPKUUCZ-JWIBPDAWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H27NO3 |
| Molecular Weight | 317.40 g/mol |
| Exact Mass | 317.19909372 g/mol |
| Topological Polar Surface Area (TPSA) | 46.60 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of [(1R,6R,8R,9E)-4,13-dimethyl-2-oxo-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-8-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1r6r8r9e-413-dimethyl-2-oxo-13-azatricyclo770016hexadeca-39-dien-8-yl-acetate.jpg "2D Structure of [(1R,6R,8R,9E)-4,13-dimethyl-2-oxo-13-azatricyclo[7.7.0.01,6]hexadeca-3,9-dien-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.46% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.12% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.80% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.80% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.72% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.39% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.50% | 93.04% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.46% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.20% | 99.23% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.75% | 91.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.61% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.55% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.59% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.17% | 93.40% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.10% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.34% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.74% | 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.
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| There are no matching plants. |
| PubChem | 162866532 |
| LOTUS | LTS0130255 |
| wikiData | Q105154345 |