(1S,2R,3R,4S,5S,6S,8R,9R,10R,13R,16S,17R,18S)-11-ethyl-6,8,16-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,18-diol
| Internal ID | b8ef9ab8-aa0e-4588-9527-2d1ae21e56d2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | (1S,2R,3R,4S,5S,6S,8R,9R,10R,13R,16S,17R,18S)-11-ethyl-6,8,16-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,18-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H39NO5/c1-6-25-11-22(2)8-7-15(29-4)24-13-9-12-14(28-3)10-23(30-5,16(13)18(12)26)17(21(24)25)19(27)20(22)24/h12-21,26-27H,6-11H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19-,20-,21-,22+,23-,24+/m1/s1 |
| InChI Key | XWDPXXKARIDOBG-YXQJRNGSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H39NO5 |
| Molecular Weight | 421.60 g/mol |
| Exact Mass | 421.28282334 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of (1S,2R,3R,4S,5S,6S,8R,9R,10R,13R,16S,17R,18S)-11-ethyl-6,8,16-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,18-diol](https://plantaedb.com/storage/docs/compounds/2023/11/3e06c230-86ba-11ee-86c5-9351e47399b1.jpg "2D Structure of (1S,2R,3R,4S,5S,6S,8R,9R,10R,13R,16S,17R,18S)-11-ethyl-6,8,16-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,18-diol")
| 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 | 99.48% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.34% | 97.25% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 96.56% | 95.58% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.82% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.66% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.25% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.50% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.30% | 96.38% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.07% | 91.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.06% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.44% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.27% | 100.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.03% | 83.82% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.58% | 96.43% |
| CHEMBL204 | P00734 | Thrombin | 84.14% | 96.01% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.02% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.36% | 97.14% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 83.10% | 95.36% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.14% | 94.78% |
| CHEMBL228 | P31645 | Serotonin transporter | 82.09% | 95.51% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 81.63% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.63% | 93.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.46% | 100.00% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.54% | 91.96% |
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 davisii |
| Delphinium peregrinum |
| PubChem | 101714011 |
| LOTUS | LTS0199997 |
| wikiData | Q104403341 |