11-Ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-one
| Internal ID | d2fb1c55-87d2-4c70-b36e-1e6f18ef74a8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | 11-ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-one |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4(C5C6=O)O)OC)O)OC)C |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4(C5C6=O)O)OC)O)OC)C |
| InChI | InChI=1S/C23H35NO5/c1-5-24-11-20(2)7-6-16(29-4)23-15(20)8-13(19(23)24)21(26)10-14(28-3)12-9-22(23,27)18(21)17(12)25/h12-16,18-19,26-27H,5-11H2,1-4H3 |
| InChI Key | MHSYUBFGORFSCY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H35NO5 |
| Molecular Weight | 405.50 g/mol |
| Exact Mass | 405.25152322 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of 11-Ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/bce363b0-8550-11ee-8842-2f51a5b9d4e0.jpg "2D Structure of 11-Ethyl-2,8-dihydroxy-6,16-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-one")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.46% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.49% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.44% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.70% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.95% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.04% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.51% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.67% | 96.43% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.37% | 92.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.72% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.49% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.69% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.23% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.04% | 96.61% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.74% | 82.38% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.34% | 91.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.00% | 96.38% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.48% | 93.04% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.47% | 90.24% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.39% | 93.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.16% | 94.78% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.95% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.76% | 82.69% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.05% | 92.62% |
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.
| Aconitum variegatum |
| PubChem | 73804014 |
| LOTUS | LTS0261011 |
| wikiData | Q105164090 |