Methyl 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 | bb7d9955-7bf9-4cd3-9075-0e35dd43cc2d |
| Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
| IUPAC Name | methyl 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)C12CCC34CCCN5C3C1(C(C5)C(=O)C4)C6=C(N2)C7=C(C=C6)OCO7 |
| SMILES (Isomeric) | COC(=O)C12CCC34CCCN5C3C1(C(C5)C(=O)C4)C6=C(N2)C7=C(C=C6)OCO7 |
| InChI | InChI=1S/C22H24N2O5/c1-27-19(26)21-7-6-20-5-2-8-24-10-13(14(25)9-20)22(21,18(20)24)12-3-4-15-17(16(12)23-21)29-11-28-15/h3-4,13,18,23H,2,5-11H2,1H3 |
| InChI Key | HJIKLBGXTXSUFC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24N2O5 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 77.10 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of Methyl 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/c96db3e0-8589-11ee-9a6e-a529cac1f02d.jpg "2D Structure of Methyl 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 | 99.47% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.45% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.36% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.34% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.24% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.91% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.39% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.37% | 97.25% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 89.88% | 97.28% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.66% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.60% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.60% | 90.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.03% | 93.04% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.66% | 90.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.63% | 92.62% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.05% | 85.30% |
| CHEMBL5028 | O14672 | ADAM10 | 83.63% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.54% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.48% | 92.88% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.29% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.43% | 89.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.42% | 94.42% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.85% | 80.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.54% | 86.33% |
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 |
| Kopsia dasyrachis |
| Kopsia flavida |
| PubChem | 162934291 |
| LOTUS | LTS0249150 |
| wikiData | Q105029277 |