[11-Ethyl-8,16,18-trihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
| Internal ID | 2f159bf9-7d00-4a27-b819-1ebd2773283f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | [11-ethyl-8,16,18-trihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC(=O)C)OC)O)O)O)COC |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC(=O)C)OC)O)O)O)COC |
| InChI | InChI=1S/C25H39NO7/c1-5-26-10-23(11-31-3)7-6-16(28)25-14-8-13-15(32-4)9-24(30,17(14)20(13)33-12(2)27)18(22(25)26)19(29)21(23)25/h13-22,28-30H,5-11H2,1-4H3 |
| InChI Key | FGSWZLKDPAJNCC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H39NO7 |
| Molecular Weight | 465.60 g/mol |
| Exact Mass | 465.27265258 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of [11-Ethyl-8,16,18-trihydroxy-6-methoxy-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/2023/11/5e9755a0-8708-11ee-8629-a9c158df795b.jpg "2D Structure of [11-Ethyl-8,16,18-trihydroxy-6-methoxy-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 | 99.56% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.17% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.92% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.36% | 96.38% |
| CHEMBL204 | P00734 | Thrombin | 94.79% | 96.01% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.63% | 94.45% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 91.04% | 95.58% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 90.76% | 94.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.50% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.36% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.43% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.29% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.77% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.30% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.81% | 90.17% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 85.63% | 98.99% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.41% | 92.94% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.77% | 91.03% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.54% | 97.21% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.18% | 97.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.12% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.91% | 95.89% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 83.78% | 95.52% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.01% | 91.24% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.68% | 90.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.61% | 92.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.36% | 98.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.34% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.10% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.63% | 97.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.54% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.39% | 92.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.36% | 95.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.24% | 91.07% |
| CHEMBL5028 | O14672 | ADAM10 | 80.06% | 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 ferox |
| PubChem | 163050033 |
| LOTUS | LTS0118330 |
| wikiData | Q104995050 |