[11-Ethyl-8,9,16-trihydroxy-13-(hydroxymethyl)-6,18-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
| Internal ID | a30ba04f-35b7-437e-9ffe-7db53478c587 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | [11-ethyl-8,9,16-trihydroxy-13-(hydroxymethyl)-6,18-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H39NO8/c1-5-26-10-22(11-27)7-6-16(29)24-14-8-13-15(32-3)9-23(30,17(14)18(13)34-12(2)28)25(31,21(24)26)20(33-4)19(22)24/h13-21,27,29-31H,5-11H2,1-4H3 |
| InChI Key | JJXSCKQFHIXOOJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H39NO8 |
| Molecular Weight | 481.60 g/mol |
| Exact Mass | 481.26756720 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of [11-Ethyl-8,9,16-trihydroxy-13-(hydroxymethyl)-6,18-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/64f33820-860d-11ee-a9bf-a38d75123274.jpg "2D Structure of [11-Ethyl-8,9,16-trihydroxy-13-(hydroxymethyl)-6,18-dimethoxy-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 | 99.26% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.27% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.88% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.83% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.17% | 91.19% |
| CHEMBL204 | P00734 | Thrombin | 92.10% | 96.01% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.49% | 96.61% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.24% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.22% | 97.09% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 89.07% | 95.52% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.79% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.01% | 97.21% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.94% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.33% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.91% | 94.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.55% | 97.28% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.52% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.06% | 95.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.85% | 91.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.53% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.71% | 91.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.63% | 98.95% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 83.31% | 95.36% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.23% | 93.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.01% | 92.62% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.91% | 97.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.68% | 98.99% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.27% | 95.58% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.17% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.41% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 73802877 |
| LOTUS | LTS0208934 |
| wikiData | Q105130042 |