Methyl 4-(6-methoxy-9-methyl-8-oxo-[1,3]dioxolo[4,5-h]quinolin-7-yl)-2-methylbutanoate
| Internal ID | 6ce2a945-cd00-44e6-811a-babe843ad6cd |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | methyl 4-(6-methoxy-9-methyl-8-oxo-[1,3]dioxolo[4,5-h]quinolin-7-yl)-2-methylbutanoate |
| SMILES (Canonical) | CC(CCC1=C(C2=C(C3=C(C=C2)OCO3)N(C1=O)C)OC)C(=O)OC |
| SMILES (Isomeric) | CC(CCC1=C(C2=C(C3=C(C=C2)OCO3)N(C1=O)C)OC)C(=O)OC |
| InChI | InChI=1S/C18H21NO6/c1-10(18(21)23-4)5-6-12-15(22-3)11-7-8-13-16(25-9-24-13)14(11)19(2)17(12)20/h7-8,10H,5-6,9H2,1-4H3 |
| InChI Key | DULJIGHAECEIEP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H21NO6 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.13688739 g/mol |
| Topological Polar Surface Area (TPSA) | 74.30 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of Methyl 4-(6-methoxy-9-methyl-8-oxo-[1,3]dioxolo[4,5-h]quinolin-7-yl)-2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-4-6-methoxy-9-methyl-8-oxo-13dioxolo45-hquinolin-7-yl-2-methylbutanoate.jpg "2D Structure of Methyl 4-(6-methoxy-9-methyl-8-oxo-[1,3]dioxolo[4,5-h]quinolin-7-yl)-2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 99.22% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.06% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.77% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.71% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.72% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.76% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.37% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.89% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.72% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.01% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.26% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.88% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.46% | 86.33% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.28% | 98.59% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.00% | 89.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.11% | 99.17% |
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.
| Ptelea trifoliata |
| PubChem | 12314739 |
| LOTUS | LTS0261706 |
| wikiData | Q104989311 |