(1R,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,8,13-triol
| Internal ID | 2ebdfe2c-2dd4-4763-8214-3671b3f7b4eb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Lappaconitine-type diterpenoid alkaloids |
| IUPAC Name | (1R,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,8,13-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H37NO6/c1-5-24-11-20(25)7-6-17(29-3)22-15(20)9-13(18(22)24)21(26)10-14(28-2)12-8-16(22)23(21,27)19(12)30-4/h12-19,25-27H,5-11H2,1-4H3/t12-,13+,14+,15-,16+,17+,18-,19+,20-,21+,22+,23+/m1/s1 |
| InChI Key | ZBSZKFYYJKXUHF-NXZWYGSFSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C23H37NO6 |
| Molecular Weight | 423.50 g/mol |
| Exact Mass | 423.26208790 g/mol |
| Topological Polar Surface Area (TPSA) | 91.60 Ų |
| XlogP | -0.40 |
| HY-129731 |
| CS-0107682 |
![2D Structure of (1R,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,8,13-triol](https://plantaedb.com/storage/docs/compounds/2023/11/d25e3a80-8531-11ee-90c5-cd8672591ff8.jpg "2D Structure of (1R,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,8,13-triol")
| 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 | 98.54% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.49% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.40% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.86% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.54% | 96.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.28% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.62% | 94.45% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 87.42% | 94.50% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 86.60% | 95.36% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.57% | 95.58% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 85.47% | 95.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.47% | 92.94% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.64% | 97.14% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.33% | 82.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.13% | 92.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.96% | 93.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.97% | 91.03% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 81.33% | 92.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.21% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.10% | 97.28% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.03% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.88% | 94.75% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.51% | 90.24% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.43% | 97.05% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.38% | 95.38% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.20% | 98.99% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.13% | 96.43% |
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 leucostomum |
| Aconitum orientale |
| Aconitum septentrionale |
| PubChem | 101297658 |
| LOTUS | LTS0214301 |
| wikiData | Q104375865 |