2-(7-Hydroxy-1,3-benzodioxol-5-yl)-1-methylquinolin-4-one
| Internal ID | 61393026-141e-4b09-a2f3-b05f27e4161c |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 2-(7-hydroxy-1,3-benzodioxol-5-yl)-1-methylquinolin-4-one |
| SMILES (Canonical) | CN1C2=CC=CC=C2C(=O)C=C1C3=CC(=C4C(=C3)OCO4)O |
| SMILES (Isomeric) | CN1C2=CC=CC=C2C(=O)C=C1C3=CC(=C4C(=C3)OCO4)O |
| InChI | InChI=1S/C17H13NO4/c1-18-12-5-3-2-4-11(12)14(19)8-13(18)10-6-15(20)17-16(7-10)21-9-22-17/h2-8,20H,9H2,1H3 |
| InChI Key | GUHRVGVHRCXTBP-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) | 59.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.45% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.90% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.02% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.08% | 96.77% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.00% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.19% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.95% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.88% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.70% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.19% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.17% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.16% | 93.65% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.89% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.10% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.11% | 92.62% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.79% | 80.78% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.16% | 96.25% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 80.78% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.70% | 90.00% |
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.
| Ruta chalepensis |
| PubChem | 162879375 |
| LOTUS | LTS0152971 |
| wikiData | Q105020154 |