(1S,4'S,6S,10R)-4'-hydroxy-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
| Internal ID | 3d820a43-d32a-4c29-9d99-e7e18d8d9f53 |
| Taxonomy | Alkaloids and derivatives > Acutumine and related alkaloids |
| IUPAC Name | (1S,4'S,6S,10R)-4'-hydroxy-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione |
| SMILES (Canonical) | CN1CCC23C1(CCC24C(C(=CC4=O)OC)O)C(=C(C(=O)C3)OC)OC |
| SMILES (Isomeric) | CN1CC[C@@]23[C@@]1(CC[C@]24[C@@H](C(=CC4=O)OC)O)C(=C(C(=O)C3)OC)OC |
| InChI | InChI=1S/C19H25NO6/c1-20-8-7-17-10-11(21)14(25-3)16(26-4)19(17,20)6-5-18(17)13(22)9-12(24-2)15(18)23/h9,15,23H,5-8,10H2,1-4H3/t15-,17+,18+,19-/m1/s1 |
| InChI Key | BUBCJFLNVLBOBA-XGXHKWSGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H25NO6 |
| Molecular Weight | 363.40 g/mol |
| Exact Mass | 363.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 85.30 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of (1S,4'S,6S,10R)-4'-hydroxy-3',4,5-trimethoxy-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/2023/11/07e98100-8517-11ee-82d0-b710c0861fdc.jpg "2D Structure of (1S,4'S,6S,10R)-4'-hydroxy-3',4,5-trimethoxy-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 | 98.50% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.80% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.56% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.27% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.40% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.43% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.13% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.13% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.58% | 93.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.93% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.35% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.12% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.44% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.13% | 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.
| Menispermum dauricum |
| PubChem | 163038879 |
| LOTUS | LTS0116618 |
| wikiData | Q104946002 |