[8-Acetyloxy-11-ethyl-5,15-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
| Internal ID | 9eafb2fa-51b7-4f56-83ef-b2eb9f69fdfa |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | [8-acetyloxy-11-ethyl-5,15-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)14-22(38)29(45-7)35-21-13-33(40)23(43-5)15-34(47-18(2)37,25(28(35)36)26(44-6)27(32)35)24(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3 |
| InChI Key | DLUIQNPSQORVTK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H49NO11 |
| Molecular Weight | 659.80 g/mol |
| Exact Mass | 659.33056138 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of [8-Acetyloxy-11-ethyl-5,15-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/9dcef280-8534-11ee-af61-17dcae5d33fe.jpg "2D Structure of [8-Acetyloxy-11-ethyl-5,15-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate")
| 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% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.81% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.58% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.24% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.88% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.41% | 98.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 92.73% | 81.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.77% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.96% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.60% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.16% | 91.19% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.90% | 85.30% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.20% | 93.99% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.01% | 94.08% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.86% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.87% | 97.09% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 84.57% | 87.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.95% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.03% | 92.94% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.90% | 94.97% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.20% | 90.24% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.51% | 93.10% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.16% | 96.90% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.44% | 97.28% |
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.
| Aconitum ouvrardianum |
| PubChem | 163044457 |
| LOTUS | LTS0084418 |
| wikiData | Q104984708 |