2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-4,5-dione
| Internal ID | ace3d030-c6ca-4e97-b4a1-5a82879bfb3c |
| Taxonomy | Alkaloids and derivatives > Aporphines > 4,5-dioxoaporphines |
| IUPAC Name | 2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-4,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H13NO4/c1-22-16-12(19)7-10-13-11(18-17(21)15(10)20)6-8-4-2-3-5-9(8)14(13)16/h2-5,7,11,19H,6H2,1H3,(H,18,21) |
| InChI Key | QCACQIQOLODKFK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H13NO4 |
| Molecular Weight | 295.29 g/mol |
| Exact Mass | 295.08445790 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-4,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-1-methoxy-566a7-tetrahydro-4h-dibenzodegquinoline-45-dione.jpg "2D Structure of 2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-4,5-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.89% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.65% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.32% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.18% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.48% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.89% | 93.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.35% | 98.75% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.80% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.57% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.41% | 86.33% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.67% | 91.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.61% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.86% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.79% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.76% | 95.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.43% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.04% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.54% | 91.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.25% | 97.09% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.87% | 96.67% |
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.
| Aristolochia kaempferi |
| PubChem | 163027249 |
| LOTUS | LTS0052941 |
| wikiData | Q105218117 |