(1-Methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-2-yl) acetate
| Internal ID | 205af894-6c2c-4c58-9368-2ed3d9a5b52c |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | (1-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-2-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1=C(C2=CN=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)OC |
| SMILES (Isomeric) | CC(=O)OC1=C(C2=CN=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)OC |
| InChI | InChI=1S/C21H15NO5/c1-11(23)27-17-6-5-13-14-4-3-12-7-18-19(26-10-25-18)8-15(12)20(14)22-9-16(13)21(17)24-2/h3-9H,10H2,1-2H3 |
| InChI Key | HJSQQXWJAIHQAZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H15NO5 |
| Molecular Weight | 361.30 g/mol |
| Exact Mass | 361.09502258 g/mol |
| Topological Polar Surface Area (TPSA) | 66.90 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (1-Methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-2-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1-methoxy-13benzodioxolo56-cphenanthridin-2-yl-acetate.jpg "2D Structure of (1-Methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-2-yl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.25% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.89% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.31% | 96.77% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.31% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.62% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.48% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.02% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.52% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.92% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.94% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.11% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.98% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.22% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.88% | 94.80% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.57% | 92.29% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.44% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.31% | 85.30% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.99% | 97.53% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.66% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.54% | 94.73% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.71% | 95.78% |
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.
| Zanthoxylum spinosum |
| PubChem | 13946323 |
| LOTUS | LTS0076939 |
| wikiData | Q105029422 |