(11-Ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) 2-methylbutanoate
| Internal ID | 8317b87f-62f2-4c8c-9b84-93ab3af73c58 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | (11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1C2CC3C1C(CC2OC)(C4(C(C5C36C4N(CC5(CCC6OC)C)CC)OC)O)O |
| SMILES (Isomeric) | CCC(C)C(=O)OC1C2CC3C1C(CC2OC)(C4(C(C5C36C4N(CC5(CCC6OC)C)CC)OC)O)O |
| InChI | InChI=1S/C29H47NO7/c1-8-15(3)24(31)37-21-16-12-17-20(21)27(32,13-18(16)34-5)29(33)23(36-7)22-26(4)11-10-19(35-6)28(17,22)25(29)30(9-2)14-26/h15-23,25,32-33H,8-14H2,1-7H3 |
| InChI Key | QCBDBBVOICJTEF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H47NO7 |
| Molecular Weight | 521.70 g/mol |
| Exact Mass | 521.33525284 g/mol |
| Topological Polar Surface Area (TPSA) | 97.70 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (11-Ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/6f0a4e80-8561-11ee-9b6d-1513fec0410e.jpg "2D Structure of (11-Ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl) 2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.69% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.68% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.92% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.87% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.92% | 97.09% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 90.51% | 95.36% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.54% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.14% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.87% | 91.19% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.79% | 96.61% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.01% | 92.62% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.82% | 95.58% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.26% | 96.47% |
| CHEMBL204 | P00734 | Thrombin | 87.04% | 96.01% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.97% | 98.03% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 86.56% | 89.92% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.25% | 97.79% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.63% | 97.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.22% | 93.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.05% | 89.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.48% | 97.50% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 84.33% | 95.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.28% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.09% | 94.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.91% | 97.28% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.87% | 93.03% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 83.81% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.41% | 92.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.34% | 95.93% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.14% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.78% | 95.89% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.97% | 82.50% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.12% | 92.78% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.04% | 82.69% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.87% | 95.71% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 80.80% | 99.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.65% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.39% | 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 verdunense |
| PubChem | 162938410 |
| LOTUS | LTS0050998 |
| wikiData | Q105218136 |