11-Ethyl-6,8,16-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-ol
| Internal ID | e9d034d0-9d55-4924-b66c-db88b73f9dba |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | 11-ethyl-6,8,16-trimethoxy-13-methyl-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)OC)OC)C |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)OC)OC)C |
| InChI | InChI=1S/C24H39NO4/c1-6-25-12-22(2)8-7-18(28-4)24-14-9-13-16(27-3)11-23(29-5,19(14)20(13)26)15(21(24)25)10-17(22)24/h13-21,26H,6-12H2,1-5H3 |
| InChI Key | PUJPMGBYYYNBII-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H39NO4 |
| Molecular Weight | 405.60 g/mol |
| Exact Mass | 405.28790873 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 11-Ethyl-6,8,16-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/11-ethyl-6816-trimethoxy-13-methyl-11-azahexacyclo772125011003801317nonadecan-4-ol.jpg "2D Structure of 11-Ethyl-6,8,16-trimethoxy-13-methyl-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.29% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.23% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.55% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.95% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 95.14% | 95.58% |
| CHEMBL204 | P00734 | Thrombin | 91.77% | 96.01% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.51% | 90.17% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 90.09% | 91.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.78% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.44% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.31% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.24% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.97% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.30% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.30% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.21% | 92.62% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.05% | 95.36% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.27% | 94.78% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.23% | 95.38% |
| CHEMBL228 | P31645 | Serotonin transporter | 83.10% | 95.51% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.03% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.56% | 97.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.14% | 96.61% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 80.87% | 95.52% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.49% | 98.99% |
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.
| Delphinium verdunense |
| PubChem | 163023419 |
| LOTUS | LTS0073290 |
| wikiData | Q105215131 |