Methyl 22-hydroxy-20-oxo-8,10-dioxa-5,17-diazaheptacyclo[15.4.3.01,16.04,15.06,14.07,11.015,19]tetracosa-6(14),7(11),12-triene-4-carboxylate
| Internal ID | 93c793d0-ee96-4cde-9e99-21db524ceaed |
| Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
| IUPAC Name | methyl 22-hydroxy-20-oxo-8,10-dioxa-5,17-diazaheptacyclo[15.4.3.01,16.04,15.06,14.07,11.015,19]tetracosa-6(14),7(11),12-triene-4-carboxylate |
| SMILES (Canonical) | COC(=O)C12CCC34CC(=O)C5C1(C3N(C5)CCC4O)C6=C(N2)C7=C(C=C6)OCO7 |
| SMILES (Isomeric) | COC(=O)C12CCC34CC(=O)C5C1(C3N(C5)CCC4O)C6=C(N2)C7=C(C=C6)OCO7 |
| InChI | InChI=1S/C22H24N2O6/c1-28-19(27)21-6-5-20-8-13(25)12-9-24(7-4-15(20)26)18(20)22(12,21)11-2-3-14-17(16(11)23-21)30-10-29-14/h2-3,12,15,18,23,26H,4-10H2,1H3 |
| InChI Key | GFMJIBZTXMWGAU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24N2O6 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.16343649 g/mol |
| Topological Polar Surface Area (TPSA) | 97.30 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of Methyl 22-hydroxy-20-oxo-8,10-dioxa-5,17-diazaheptacyclo[15.4.3.01,16.04,15.06,14.07,11.015,19]tetracosa-6(14),7(11),12-triene-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/520d1f50-8618-11ee-ac99-b1e343dc5663.jpg "2D Structure of Methyl 22-hydroxy-20-oxo-8,10-dioxa-5,17-diazaheptacyclo[15.4.3.01,16.04,15.06,14.07,11.015,19]tetracosa-6(14),7(11),12-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.64% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.72% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.87% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.68% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.91% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.17% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.62% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.17% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.80% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.56% | 93.04% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.37% | 92.88% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.28% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.06% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.47% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.45% | 97.28% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.04% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.69% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.82% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.10% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.45% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.43% | 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.
| Kopsia arborea |
| PubChem | 162987015 |
| LOTUS | LTS0099235 |
| wikiData | Q105007632 |