(1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-3-en-6-one
| Internal ID | fdf9cddc-9d20-43fd-b447-b2e8308e2895 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Matrine alkaloids |
| IUPAC Name | (1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-3-en-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6,11-13,15H,2-5,7-10H2/t11-,12+,13-,15-/m1/s1 |
| InChI Key | WUVYENIUARJBNM-QVHKTLOISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22N2O |
| Molecular Weight | 246.35 g/mol |
| Exact Mass | 246.173213330 g/mol |
| Topological Polar Surface Area (TPSA) | 23.60 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-3-en-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r9r17r-713-diazatetracyclo77102701317heptadec-3-en-6-one.jpg "2D Structure of (1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-3-en-6-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.37% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.98% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.08% | 97.25% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 85.17% | 94.78% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 84.60% | 91.43% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.56% | 93.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.31% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.84% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.16% | 90.71% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.92% | 95.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.54% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.04% | 93.40% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.04% | 90.24% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.83% | 98.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.09% | 95.89% |
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.
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| There are no matching plants. |
| PubChem | 162916207 |
| LOTUS | LTS0228326 |
| wikiData | Q105313351 |