8-Hydroxy-3,6,9-trimethylbenzo[de]quinolin-7-one
| Internal ID | 57adbeb7-fd93-4ca2-92b5-2f439f376987 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives |
| IUPAC Name | 8-hydroxy-3,6,9-trimethylbenzo[de]quinolin-7-one |
| SMILES (Canonical) | CC1=C2C3=C(C=C1)C(=CN=C3C(=C(C2=O)O)C)C |
| SMILES (Isomeric) | CC1=C2C3=C(C=C1)C(=CN=C3C(=C(C2=O)O)C)C |
| InChI | InChI=1S/C15H13NO2/c1-7-4-5-10-8(2)6-16-13-9(3)14(17)15(18)11(7)12(10)13/h4-6,17H,1-3H3 |
| InChI Key | GSWNGVOZZZCECM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H13NO2 |
| Molecular Weight | 239.27 g/mol |
| Exact Mass | 239.094628657 g/mol |
| Topological Polar Surface Area (TPSA) | 50.20 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 8-Hydroxy-3,6,9-trimethylbenzo[de]quinolin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-hydroxy-369-trimethylbenzodequinolin-7-one.jpg "2D Structure of 8-Hydroxy-3,6,9-trimethylbenzo[de]quinolin-7-one")
| 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 | 98.08% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.26% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.56% | 94.73% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 90.17% | 93.65% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.57% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.83% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.67% | 89.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.63% | 96.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.20% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.19% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.74% | 98.95% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.28% | 94.42% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.99% | 92.68% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.13% | 86.33% |
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.
| Alangium chinense |
| PubChem | 136239438 |
| LOTUS | LTS0202253 |
| wikiData | Q105018049 |