(11-Ethyl-4,16-dihydroxy-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-18-yl) acetate
| Internal ID | 938d45be-28b3-4add-9cf9-62531218389e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | (11-ethyl-4,16-dihydroxy-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-18-yl) acetate |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)OC)OC(=O)C)O)C |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)OC)OC(=O)C)O)C |
| InChI | InChI=1S/C25H39NO6/c1-6-26-11-23(3)8-7-16(28)25-14-9-13-15(30-4)10-24(31-5,17(14)19(13)29)18(22(25)26)20(21(23)25)32-12(2)27/h13-22,28-29H,6-11H2,1-5H3 |
| InChI Key | RWHDHYFSEUPSHJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H39NO6 |
| Molecular Weight | 449.60 g/mol |
| Exact Mass | 449.27773796 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (11-Ethyl-4,16-dihydroxy-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-18-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/a8343420-86d7-11ee-b833-cdfb4a006684.jpg "2D Structure of (11-Ethyl-4,16-dihydroxy-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-18-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 | 99.64% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.71% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 97.00% | 95.58% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.71% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.12% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.83% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.63% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.68% | 85.14% |
| CHEMBL204 | P00734 | Thrombin | 91.19% | 96.01% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.83% | 94.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.45% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.47% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.46% | 91.19% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 87.02% | 95.52% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.90% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.66% | 98.10% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.10% | 96.43% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.77% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.54% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.50% | 92.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.45% | 93.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.52% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.58% | 95.89% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 83.24% | 95.36% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.13% | 97.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.56% | 92.94% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.35% | 97.21% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.11% | 98.99% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.37% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.29% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.87% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.75% | 82.69% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.48% | 100.00% |
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.
| Delphinium bicolor |
| PubChem | 5231671 |
| LOTUS | LTS0145054 |
| wikiData | Q105246502 |