14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1,3,7,9(17),11,13,15-heptaene-5,6-dione
| Internal ID | f41e728c-7d7a-43c7-9c22-e50705c9e2a6 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives |
| IUPAC Name | 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1,3,7,9(17),11,13,15-heptaene-5,6-dione |
| SMILES (Canonical) | COC1=C2C=CNC3=C2C(=C4C3=CC(=O)C(=O)C=C4)C(=C1OC)OC |
| SMILES (Isomeric) | COC1=C2C=CNC3=C2C(=C4C3=CC(=O)C(=O)C=C4)C(=C1OC)OC |
| InChI | InChI=1S/C19H15NO5/c1-23-17-10-6-7-20-16-11-8-13(22)12(21)5-4-9(11)15(14(10)16)18(24-2)19(17)25-3/h4-8,20H,1-3H3 |
| InChI Key | WWUWMEDXEMLDDA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H15NO5 |
| Molecular Weight | 337.30 g/mol |
| Exact Mass | 337.09502258 g/mol |
| Topological Polar Surface Area (TPSA) | 73.90 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1,3,7,9(17),11,13,15-heptaene-5,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/202af070-862d-11ee-995e-ef09469501b9.jpg "2D Structure of 14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1,3,7,9(17),11,13,15-heptaene-5,6-dione")
| 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 | 97.11% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.48% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.06% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.80% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.60% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.16% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.09% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.36% | 85.30% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.38% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.96% | 96.67% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.51% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.76% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.64% | 99.23% |
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.
| Abuta grandifolia |
| Cissampelos pareira |
| PubChem | 5379179 |
| LOTUS | LTS0211593 |
| wikiData | Q105314342 |