(15R,17R,19R)-17-ethoxy-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
| Internal ID | c467b9b0-225c-4c71-b65c-561f8bb8c56f |
| Taxonomy | Alkaloids and derivatives > Eburnan-type alkaloids |
| IUPAC Name | (15R,17R,19R)-17-ethoxy-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene |
| SMILES (Canonical) | CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)OCC |
| SMILES (Isomeric) | CC[C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4[C@@H](C2)OCC |
| InChI | InChI=1S/C21H28N2O/c1-3-21-11-7-12-22-13-10-16-15-8-5-6-9-17(15)23(19(16)20(21)22)18(14-21)24-4-2/h5-6,8-9,18,20H,3-4,7,10-14H2,1-2H3/t18-,20+,21-/m1/s1 |
| InChI Key | NWLZCHIBFZGZTL-HLAWJBBLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28N2O |
| Molecular Weight | 324.50 g/mol |
| Exact Mass | 324.220163521 g/mol |
| Topological Polar Surface Area (TPSA) | 17.40 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (15R,17R,19R)-17-ethoxy-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene](https://plantaedb.com/storage/docs/compounds/2023/11/a394eff0-8678-11ee-8405-6188de372596.jpg "2D Structure of (15R,17R,19R)-17-ethoxy-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 97.77% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.50% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.73% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.12% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.03% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.83% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.62% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.40% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.12% | 89.63% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.48% | 92.62% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.56% | 95.83% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.52% | 91.11% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.16% | 92.67% |
| CHEMBL1808 | P12821 | Angiotensin-converting enzyme | 83.14% | 93.39% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 82.93% | 96.25% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.87% | 91.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.10% | 94.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.96% | 93.31% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.59% | 90.17% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.41% | 91.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.28% | 95.89% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 80.14% | 90.71% |
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.
| Hunteria zeylanica |
| Kopsia arborea |
| Kopsia larutensis |
| PubChem | 163020495 |
| LOTUS | LTS0211132 |
| wikiData | Q105186680 |