(1S,2R,5R,7R,9S,10S,13S,16S)-11-ethyl-7-hydroxy-16-methoxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one
| Internal ID | ebc7811d-891b-48cc-ad62-c3169215ca08 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids > Napelline-type diterpenoid alkaloids |
| IUPAC Name | (1S,2R,5R,7R,9S,10S,13S,16S)-11-ethyl-7-hydroxy-16-methoxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H33NO3/c1-5-24-11-21(3)7-6-18(27-4)23-16(21)8-14(19(23)24)22-10-13(12(2)20(22)26)15(25)9-17(22)23/h13-14,16-20,26H,2,5-11H2,1,3-4H3/t13-,14-,16?,17-,18+,19+,20-,21-,22?,23-/m1/s1 |
| InChI Key | NVVRRHYGTUDOIZ-ZIVKABFOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H33NO3 |
| Molecular Weight | 371.50 g/mol |
| Exact Mass | 371.24604391 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (1S,2R,5R,7R,9S,10S,13S,16S)-11-ethyl-7-hydroxy-16-methoxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/6801d210-8739-11ee-bef3-c3ec91905794.jpg "2D Structure of (1S,2R,5R,7R,9S,10S,13S,16S)-11-ethyl-7-hydroxy-16-methoxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one")
| 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 | 98.28% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.59% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.97% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.24% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.89% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.41% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.06% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.75% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.20% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.63% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.60% | 94.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.39% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.91% | 86.33% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.84% | 97.05% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.18% | 85.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.90% | 91.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.17% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.27% | 93.03% |
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 liangshanicum |
| PubChem | 163185306 |
| LOTUS | LTS0096621 |
| wikiData | Q105186447 |