8-Ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-ol
| Internal ID | e22d07d5-2721-4a1a-9c95-aaa34213a159 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | 8-ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-ol |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)OCC)OC)COC |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)OCC)OC)COC |
| InChI | InChI=1S/C26H43NO5/c1-6-27-13-24(14-29-3)9-8-20(31-5)26-16-10-15-18(30-4)12-25(32-7-2,21(16)22(15)28)17(23(26)27)11-19(24)26/h15-23,28H,6-14H2,1-5H3 |
| InChI Key | HVTHYGUXWWSVGZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H43NO5 |
| Molecular Weight | 449.60 g/mol |
| Exact Mass | 449.31412347 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 8-Ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/cac333d0-8616-11ee-9148-272b11f3ab0b.jpg "2D Structure of 8-Ethoxy-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-ol")
| 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 | 99.15% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.10% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.38% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.20% | 85.14% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 92.57% | 95.58% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.78% | 95.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.15% | 83.82% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.35% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.45% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.02% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.71% | 92.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.19% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.32% | 95.89% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.30% | 92.98% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.75% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.29% | 95.89% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 82.99% | 95.36% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.73% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.35% | 90.17% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 81.91% | 97.56% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.79% | 98.99% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.78% | 94.78% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.77% | 96.43% |
| CHEMBL204 | P00734 | Thrombin | 81.04% | 96.01% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.23% | 97.50% |
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 columbianum |
| Aconitum nasutum |
| PubChem | 15628248 |
| LOTUS | LTS0061643 |
| wikiData | Q105034427 |