[11-Ethyl-2,8-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
| Internal ID | e08c431c-011c-4a99-8ea8-70116f2a4334 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | [11-ethyl-2,8-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4(C5C6OC(=O)C)O)OC)O)OC)COC |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4(C5C6OC(=O)C)O)OC)O)OC)COC |
| InChI | InChI=1S/C26H41NO7/c1-6-27-12-23(13-31-3)8-7-19(33-5)26-18(23)9-16(22(26)27)24(29)11-17(32-4)15-10-25(26,30)21(24)20(15)34-14(2)28/h15-22,29-30H,6-13H2,1-5H3 |
| InChI Key | DQWZPBYYWNEBTG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H41NO7 |
| Molecular Weight | 479.60 g/mol |
| Exact Mass | 479.28830265 g/mol |
| Topological Polar Surface Area (TPSA) | 97.70 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of [11-Ethyl-2,8-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/062a5540-82e4-11ee-ba6f-9bf2093c9772.jpg "2D Structure of [11-Ethyl-2,8-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate")
| 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 | 99.00% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.89% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.46% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.78% | 94.45% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 92.21% | 95.52% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.70% | 95.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.19% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.91% | 94.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.96% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.89% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.67% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.48% | 92.94% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 85.40% | 98.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.18% | 98.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.79% | 91.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.64% | 93.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.60% | 92.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.20% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.92% | 100.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.24% | 94.42% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.90% | 91.24% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.23% | 93.04% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.09% | 89.05% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.98% | 95.36% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.94% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.67% | 82.69% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.52% | 94.78% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.49% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.73% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.72% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.65% | 91.11% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.57% | 97.50% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.18% | 82.38% |
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 | 73814601 |
| LOTUS | LTS0217016 |
| wikiData | Q104987244 |