Dimethyl 7,8-dimethoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9-triene-4,5-dicarboxylate
| Internal ID | cbbc956b-f881-4128-b1bc-71262e3ba395 |
| Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
| IUPAC Name | dimethyl 7,8-dimethoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9-triene-4,5-dicarboxylate |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C34C5CN6C3C(CCC6)(CCC4(N2C(=O)OC)C(=O)OC)CC5=O)OC |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)C34C5CN6C3C(CCC6)(CCC4(N2C(=O)OC)C(=O)OC)CC5=O)OC |
| InChI | InChI=1S/C25H30N2O7/c1-31-17-7-6-14-18(19(17)32-2)27(22(30)34-4)24(21(29)33-3)10-9-23-8-5-11-26-13-15(16(28)12-23)25(14,24)20(23)26/h6-7,15,20H,5,8-13H2,1-4H3 |
| InChI Key | SADNZWUIRNBYPP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30N2O7 |
| Molecular Weight | 470.50 g/mol |
| Exact Mass | 470.20530130 g/mol |
| Topological Polar Surface Area (TPSA) | 94.60 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of Dimethyl 7,8-dimethoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9-triene-4,5-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/b6228b30-857a-11ee-8a89-118e4b5a2f3d.jpg "2D Structure of Dimethyl 7,8-dimethoxy-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6(11),7,9-triene-4,5-dicarboxylate")
| 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 | 96.59% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.05% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.27% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.94% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.59% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.70% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.40% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.18% | 93.03% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.98% | 94.42% |
| CHEMBL5028 | O14672 | ADAM10 | 84.80% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.53% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.40% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.89% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.73% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.18% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.89% | 94.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.09% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.27% | 97.09% |
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 flavida |
| PubChem | 73880649 |
| LOTUS | LTS0172509 |
| wikiData | Q105248795 |