Acetyl 8-oxotetrahydrothalifendine
| Internal ID | 25fde1cf-9e5f-4c63-a4d1-dc11d0720b2b |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (16-methoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H19NO6/c1-11(23)28-16-4-3-13-7-15-14-9-18-17(26-10-27-18)8-12(14)5-6-22(15)21(24)19(13)20(16)25-2/h3-4,8-9,15H,5-7,10H2,1-2H3 |
| InChI Key | DMUHZKPEYXYPKA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H19NO6 |
| Molecular Weight | 381.40 g/mol |
| Exact Mass | 381.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 74.30 Ų |
| XlogP | 2.50 |
| [methoxy(oxo)[?]yl] acetate |
| CHEMBL463528 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.55% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.91% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.74% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.20% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.61% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.92% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.79% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.43% | 86.33% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 92.91% | 96.76% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.24% | 95.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.65% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.57% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.86% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.59% | 91.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.86% | 97.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.61% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.26% | 99.17% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.00% | 93.40% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.58% | 96.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.88% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.83% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.49% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.89% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.54% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.48% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.46% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.08% | 82.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.81% | 94.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.70% | 96.86% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.09% | 82.67% |
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.
| Hydrastis canadensis |
| PubChem | 470417 |
| LOTUS | LTS0083932 |
| wikiData | Q104985326 |