(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-methylpropanoate
| Internal ID | 4db0df18-62ae-481b-962a-00960af7c07d |
| 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-methylpropanoate |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC(=O)C(C)C)OC)O)O)OC)OC)C |
| SMILES (Isomeric) | CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC(=O)C(C)C)OC)O)O)OC)OC)C |
| InChI | InChI=1S/C28H45NO7/c1-8-29-13-25(4)10-9-18(34-6)27-16-11-15-17(33-5)12-26(31,19(16)20(15)36-23(30)14(2)3)28(32,24(27)29)22(35-7)21(25)27/h14-22,24,31-32H,8-13H2,1-7H3 |
| InChI Key | JAKRMJRMMPOUJX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H45NO7 |
| Molecular Weight | 507.70 g/mol |
| Exact Mass | 507.31960277 g/mol |
| Topological Polar Surface Area (TPSA) | 97.70 Ų |
| XlogP | 1.70 |
| 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-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/a9146e90-8449-11ee-b236-bf7a7a6752b4.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-methylpropanoate")
| 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 | 99.73% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.64% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.49% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.39% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.77% | 97.09% |
| CHEMBL204 | P00734 | Thrombin | 93.80% | 96.01% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.31% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.21% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.81% | 96.77% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 89.79% | 95.36% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.56% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.90% | 96.47% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.84% | 98.03% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.39% | 95.58% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.51% | 89.62% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.24% | 96.61% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.98% | 97.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.69% | 97.28% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 84.56% | 89.92% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.42% | 94.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.04% | 93.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.96% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.88% | 93.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.24% | 95.89% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 82.93% | 99.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.63% | 89.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.97% | 82.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.92% | 89.05% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.74% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.71% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.60% | 98.95% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 81.42% | 92.78% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.59% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.45% | 91.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.28% | 92.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.25% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.13% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.10% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.05% | 82.69% |
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 | 162930996 |
| LOTUS | LTS0063014 |
| wikiData | Q105123820 |