[(6S,8S,13R)-8-acetyloxy-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
| Internal ID | fbbd2c86-07ca-4203-b3c7-5c1abd0ffedb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Lappaconitine-type diterpenoid alkaloids |
| IUPAC Name | [(6S,8S,13R)-8-acetyloxy-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H39NO6/c1-6-27-12-15-7-8-21(31-5)26-17(15)10-19(24(26)27)25(33-14(3)29)11-20(30-4)16-9-18(26)22(25)23(16)32-13(2)28/h15-24H,6-12H2,1-5H3/t15-,16?,17?,18?,19?,20-,21?,22?,23?,24?,25-,26?/m0/s1 |
| InChI Key | BBSDIDRWIOUQCQ-HERNJSPVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H39NO6 |
| Molecular Weight | 461.60 g/mol |
| Exact Mass | 461.27773796 g/mol |
| Topological Polar Surface Area (TPSA) | 74.30 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [(6S,8S,13R)-8-acetyloxy-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/07/072f6a30-2521-11ee-8ac1-d3e128ffd1db.jpg "2D Structure of [(6S,8S,13R)-8-acetyloxy-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-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 | 99.71% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.92% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.34% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.73% | 95.58% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.43% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.93% | 85.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.78% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.01% | 94.33% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 87.94% | 95.36% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.21% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.11% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.84% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.22% | 93.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.97% | 92.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.22% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.01% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.68% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.61% | 86.33% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.54% | 98.99% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.53% | 96.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.38% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.26% | 82.69% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.80% | 94.78% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.70% | 92.94% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.58% | 97.28% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.51% | 92.86% |
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.
| Aconitum campylorrhynchum |