Methyl 19-hydroxy-7-methoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9-triene-4-carboxylate
| Internal ID | 5ceb1bb2-eeb2-4349-b105-08d0b4e22e0b |
| Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
| IUPAC Name | methyl 19-hydroxy-7-methoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9-triene-4-carboxylate |
| SMILES (Canonical) | COC1=CC=CC2=C1NC3(C24C5CN6C4C(CC3)(CC5=O)C(CC6)O)C(=O)OC |
| SMILES (Isomeric) | COC1=CC=CC2=C1NC3(C24C5CN6C4C(CC3)(CC5=O)C(CC6)O)C(=O)OC |
| InChI | InChI=1S/C22H26N2O5/c1-28-15-5-3-4-12-17(15)23-21(19(27)29-2)8-7-20-10-14(25)13-11-24(9-6-16(20)26)18(20)22(12,13)21/h3-5,13,16,18,23,26H,6-11H2,1-2H3 |
| InChI Key | PDLXHJKOGWFHQV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26N2O5 |
| Molecular Weight | 398.50 g/mol |
| Exact Mass | 398.18417193 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of Methyl 19-hydroxy-7-methoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9-triene-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/da255600-81b4-11ee-a45e-3df3a62a846a.jpg "2D Structure of Methyl 19-hydroxy-7-methoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9-triene-4-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% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.87% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.73% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.46% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.72% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.33% | 91.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 92.61% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.39% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.77% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.55% | 82.69% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 88.40% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.09% | 99.23% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.88% | 92.88% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.07% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.04% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.83% | 97.25% |
| CHEMBL5028 | O14672 | ADAM10 | 85.75% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.45% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.19% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.32% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.30% | 100.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.37% | 85.49% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.33% | 96.77% |
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.
| Kopsia arborea |
| PubChem | 163010829 |
| LOTUS | LTS0054321 |
| wikiData | Q105206601 |