Methyl 17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6,8,10-triene-4-carboxylate
| Internal ID | d987a668-9cc8-49ca-b356-b47051ed3d44 |
| Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
| IUPAC Name | methyl 17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6,8,10-triene-4-carboxylate |
| SMILES (Canonical) | COC(=O)C12CCC34CCCN5C3C1(C(C5)C(=O)C4)C6=CC=CC=C6N2 |
| SMILES (Isomeric) | COC(=O)C12CCC34CCCN5C3C1(C(C5)C(=O)C4)C6=CC=CC=C6N2 |
| InChI | InChI=1S/C21H24N2O3/c1-26-18(25)20-9-8-19-7-4-10-23-12-14(16(24)11-19)21(20,17(19)23)13-5-2-3-6-15(13)22-20/h2-3,5-6,14,17,22H,4,7-12H2,1H3 |
| InChI Key | DQJVZFCMYXOSQZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 2.00 |
| 80151-89-9 |
| methyl (1R,4S,12R,13S,16R)-17-oxo-5,14-diazahexacyclo[12.4.3.0^{1,13.0^{4,12.0^{6,11.0^{12,16]henicosa-6,8,10-triene-4-carboxylate |
![2D Structure of Methyl 17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6,8,10-triene-4-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/02d69f70-87fa-11ee-be6f-bd0c3882cb9d.jpg "2D Structure of Methyl 17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6,8,10-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.45% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.42% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.87% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 94.84% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.69% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.42% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.76% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.46% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.67% | 90.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.85% | 97.25% |
| CHEMBL5028 | O14672 | ADAM10 | 85.65% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.20% | 97.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.02% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.32% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.66% | 86.33% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.83% | 97.28% |
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 |
| PubChem | 138376544 |
| LOTUS | LTS0166358 |
| wikiData | Q104986993 |