14-Ethyl-5,19,22-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.14,7.01,13.02,7.08,12.016,20]docosan-21-ol
| Internal ID | eb716eea-f7ff-4191-9f09-e9d38c2c86fa |
| Taxonomy | Organoheterocyclic compounds > Quinolidines |
| IUPAC Name | 14-ethyl-5,19,22-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.14,7.01,13.02,7.08,12.016,20]docosan-21-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H39NO6/c1-6-26-11-22(2)8-7-16(29-4)24-15-9-13-14(28-3)10-23(15,19(13)30-5)21-25(20(24)26,32-12-31-21)18(27)17(22)24/h13-21,27H,6-12H2,1-5H3 |
| InChI Key | XFLXGAXDPDOUID-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H39NO6 |
| Molecular Weight | 449.60 g/mol |
| Exact Mass | 449.27773796 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 14-Ethyl-5,19,22-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.14,7.01,13.02,7.08,12.016,20]docosan-21-ol](https://plantaedb.com/storage/docs/compounds/2023/11/9d444930-873d-11ee-8995-3b72e441a4b2.jpg "2D Structure of 14-Ethyl-5,19,22-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.14,7.01,13.02,7.08,12.016,20]docosan-21-ol")
| 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 | 98.96% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.80% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.18% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.77% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.70% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.63% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.35% | 92.62% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 89.37% | 97.28% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.21% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.54% | 92.94% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.67% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.61% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.30% | 97.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.59% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.39% | 86.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.28% | 97.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.06% | 94.00% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 82.96% | 94.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.62% | 95.58% |
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 ternatum |
| PubChem | 163002557 |
| LOTUS | LTS0133442 |
| wikiData | Q105327102 |