[(11R,12S)-6,13-dimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-5,14,17-trien-11-yl] acetate
| Internal ID | de40733f-a3b3-46ea-bf64-31fdf896da38 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters |
| IUPAC Name | [(11R,12S)-6,13-dimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-5,14,17-trien-11-yl] acetate |
| SMILES (Canonical) | CC1=C2CCC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)OC(=O)C)CN1 |
| SMILES (Isomeric) | CC1=C2CCC3C2(C[C@H]([C@H]4C3CCC5=CC(=O)C=CC45C)OC(=O)C)CN1 |
| InChI | InChI=1S/C23H29NO3/c1-13-18-6-7-19-17-5-4-15-10-16(26)8-9-22(15,3)21(17)20(27-14(2)25)11-23(18,19)12-24-13/h8-10,17,19-21,24H,4-7,11-12H2,1-3H3/t17?,19?,20-,21-,22?,23?/m1/s1 |
| InChI Key | GSNDZNARAOJCNA-OFJSOFFBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H29NO3 |
| Molecular Weight | 367.50 g/mol |
| Exact Mass | 367.21474379 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of [(11R,12S)-6,13-dimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-5,14,17-trien-11-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2fe17b60-85db-11ee-a519-d9fdc680cade.jpg "2D Structure of [(11R,12S)-6,13-dimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-5,14,17-trien-11-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 | 98.53% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.91% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 95.57% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.99% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.23% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.06% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.86% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.94% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.12% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.58% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.99% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.62% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.22% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.98% | 98.59% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.85% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.16% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.57% | 94.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.49% | 92.68% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 81.80% | 96.47% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.22% | 91.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.18% | 96.38% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.51% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.26% | 95.89% |
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.
| Delphinium occidentale |
| Holarrhena pubescens |
| PubChem | 101681249 |
| LOTUS | LTS0073633 |
| wikiData | Q104393388 |