Methyl 15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
| Internal ID | 6d016d31-840c-4952-9e13-da4cf1742d76 |
| Taxonomy | Alkaloids and derivatives > Quebrachamine alkaloids |
| IUPAC Name | methyl 15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate |
| SMILES (Canonical) | CCC12CCCN(C1)CCC3=C(C(C2)C(=O)OC)NC4=CC=CC=C34 |
| SMILES (Isomeric) | CCC12CCCN(C1)CCC3=C(C(C2)C(=O)OC)NC4=CC=CC=C34 |
| InChI | InChI=1S/C21H28N2O2/c1-3-21-10-6-11-23(14-21)12-9-16-15-7-4-5-8-18(15)22-19(16)17(13-21)20(24)25-2/h4-5,7-8,17,22H,3,6,9-14H2,1-2H3 |
| InChI Key | JFLTVMWSBAMWAW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28N2O2 |
| Molecular Weight | 340.50 g/mol |
| Exact Mass | 340.215078140 g/mol |
| Topological Polar Surface Area (TPSA) | 45.30 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of Methyl 15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-15-ethyl-111-diazatetracyclo133104120510nonadeca-412579-tetraene-13-carboxylate.jpg "2D Structure of Methyl 15-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate")
| 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 | 99.23% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.84% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.43% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 96.73% | 89.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.56% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.47% | 98.95% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 90.52% | 97.50% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.83% | 98.59% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.08% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.22% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.05% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.91% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.91% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 84.89% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.65% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.34% | 86.33% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.68% | 92.67% |
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.
| Amsonia tabernaemontana |
| Vinca minor |
| PubChem | 12444818 |
| LOTUS | LTS0169930 |
| wikiData | Q105126746 |