11-Chloro-3'-(diethylamino)-4'-hydroxy-4,5-dimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
| Internal ID | b831a45d-6fbe-4e18-8e1f-686d76d18cfa |
| Taxonomy | Alkaloids and derivatives > Acutumine and related alkaloids |
| IUPAC Name | 11-chloro-3'-(diethylamino)-4'-hydroxy-4,5-dimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H31ClN2O5/c1-6-25(7-2)13-10-16(27)22(18(13)28)15(23)12-21-19(30-5)17(29-4)14(26)11-20(21,22)8-9-24(21)3/h10,15,18,28H,6-9,11-12H2,1-5H3 |
| InChI Key | GSPWOIUNBWNJMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H31ClN2O5 |
| Molecular Weight | 438.90 g/mol |
| Exact Mass | 438.1921498 g/mol |
| Topological Polar Surface Area (TPSA) | 79.30 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of 11-Chloro-3'-(diethylamino)-4'-hydroxy-4,5-dimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione](https://plantaedb.com/storage/docs/compounds/2023/11/4453d720-86c8-11ee-8560-6d97b7176b27.jpg "2D Structure of 11-Chloro-3'-(diethylamino)-4'-hydroxy-4,5-dimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione")
| 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 | 99.33% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.30% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.85% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.98% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.57% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.11% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.01% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.67% | 89.34% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.70% | 93.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.06% | 94.75% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.51% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.71% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.85% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.04% | 94.00% |
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.
| Hypserpa nitida |
| PubChem | 75027985 |
| LOTUS | LTS0205485 |
| wikiData | Q105017533 |