[(1R,2R,10S,11R,13S,15S)-15-methyl-14-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate
| Internal ID | 02605aca-1d4f-4a9b-884f-6b737a2f2031 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1R,2R,10S,11R,13S,15S)-15-methyl-14-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H27NO3/c1-11-10-18-14-5-3-7-19(18)8-4-6-15(18)16(22-12(2)20)9-13(14)17(11)21/h11,13-16H,3-10H2,1-2H3/t11-,13-,14+,15+,16+,18+/m0/s1 |
| InChI Key | RQBRFYQTEDRMAQ-FCTVGVJYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H27NO3 |
| Molecular Weight | 305.40 g/mol |
| Exact Mass | 305.19909372 g/mol |
| Topological Polar Surface Area (TPSA) | 46.60 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,10S,11R,13S,15S)-15-methyl-14-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r10s11r13s15s-15-methyl-14-oxo-6-azatetracyclo8600160213hexadecan-11-yl-acetate.jpg "2D Structure of [(1R,2R,10S,11R,13S,15S)-15-methyl-14-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.62% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.94% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.11% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.99% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.62% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.50% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.85% | 93.04% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.92% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.63% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.42% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.84% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.76% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.75% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.50% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.46% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.16% | 99.23% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.69% | 99.18% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.07% | 95.62% |
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 | 12188648 |
| LOTUS | LTS0122534 |
| wikiData | Q105243218 |