14-Ethyl-4,6-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-19,21-diol
| Internal ID | 48d3f2f9-c9b6-48bd-a340-62862ffb1b05 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | 14-ethyl-4,6-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-19,21-diol |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4C6C7OC)OC)OCO5)O)O)C |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4C6C7OC)OC)OCO5)O)O)C |
| InChI | InChI=1S/C24H37NO6/c1-5-25-10-21(2)7-6-15(26)23-13-8-12-14(28-3)9-22(16(13)17(12)29-4)24(20(23)25,31-11-30-22)19(27)18(21)23/h12-20,26-27H,5-11H2,1-4H3 |
| InChI Key | JWYGKHOGGNGGGY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H37NO6 |
| Molecular Weight | 435.60 g/mol |
| Exact Mass | 435.26208790 g/mol |
| Topological Polar Surface Area (TPSA) | 80.60 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of 14-Ethyl-4,6-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-19,21-diol](https://plantaedb.com/storage/docs/compounds/2023/11/a8aefe00-8384-11ee-a6f2-cb4c35b178a2.jpg "2D Structure of 14-Ethyl-4,6-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosane-19,21-diol")
| 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 | 98.37% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.55% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.20% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.94% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.21% | 90.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.78% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.30% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.14% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.52% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.09% | 86.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.00% | 97.28% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.93% | 95.58% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.63% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.62% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.95% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.51% | 96.43% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.26% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.58% | 95.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.45% | 97.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.14% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.00% | 94.00% |
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 tanguticum |
| Delphinium elatum |
| PubChem | 162943735 |
| LOTUS | LTS0127317 |
| wikiData | Q105136450 |