11-Ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,8,14-tetrol
| Internal ID | 82cfe3e8-d74d-42e0-9708-3bad13250df3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | 11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,8,14-tetrol |
| SMILES (Canonical) | CCN1CC2(C3CC4C1C3(C(CC2O)OC)C5CC6(C(CC4(C5C6O)O)OC)O)COC |
| SMILES (Isomeric) | CCN1CC2(C3CC4C1C3(C(CC2O)OC)C5CC6(C(CC4(C5C6O)O)OC)O)COC |
| InChI | InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)14-6-12-19(25)24(14,16(31-3)7-15(21)26)13-8-23(29)17(32-4)9-22(12,28)18(13)20(23)27/h12-20,26-29H,5-11H2,1-4H3 |
| InChI Key | CQTKITISLNQYEI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H39NO7 |
| Molecular Weight | 453.60 g/mol |
| Exact Mass | 453.27265258 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of 11-Ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,8,14-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/96c0acc0-8792-11ee-86e6-1bcc7a03fbb2.jpg "2D Structure of 11-Ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,8,14-tetrol")
| 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 | 99.09% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.64% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.31% | 85.14% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 94.05% | 87.16% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.17% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.60% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.71% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.01% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.78% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.27% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.72% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.51% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.06% | 98.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.85% | 96.90% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.19% | 100.00% |
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.
To see more specific details click the taxa you are interested in.
| Aconitum hemsleyanum |
| PubChem | 73070118 |
| LOTUS | LTS0138060 |
| wikiData | Q104968254 |