11-Ethyl-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
| Internal ID | 7e20c744-fc79-4fb4-adda-bd0a94feb5a8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | 11-ethyl-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)OC)OC)C |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)OC)OC)C |
| InChI | InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(27,16(13)18(12)26)17(21(24)25)19(30-5)20(22)24/h12-21,26-27H,6-11H2,1-5H3 |
| InChI Key | FEOORLCKDHTOCS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H39NO5 |
| Molecular Weight | 421.60 g/mol |
| Exact Mass | 421.28282334 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 11-Ethyl-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol](https://plantaedb.com/storage/docs/compounds/2023/11/8b5ffb40-840d-11ee-8f58-657ae38028df.jpg "2D Structure of 11-Ethyl-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-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 | 99.57% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.82% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 98.19% | 95.58% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.43% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.54% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.54% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.81% | 95.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.41% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.73% | 94.45% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.06% | 91.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.77% | 96.43% |
| CHEMBL204 | P00734 | Thrombin | 89.93% | 96.01% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.56% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.38% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 87.89% | 98.99% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.00% | 90.17% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.55% | 97.28% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 86.10% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.81% | 83.82% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.49% | 95.36% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 84.32% | 94.78% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.85% | 92.86% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 83.30% | 91.96% |
| CHEMBL228 | P31645 | Serotonin transporter | 83.26% | 95.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.43% | 98.95% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 82.14% | 97.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.13% | 97.14% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 82.11% | 87.16% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.98% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.22% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.00% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.68% | 82.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.63% | 100.00% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 80.31% | 88.81% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.28% | 97.50% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 80.02% | 99.00% |
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 roylei |
| PubChem | 73657337 |
| LOTUS | LTS0076501 |
| wikiData | Q104994092 |