6-Methoxy-7-(3-methyl-2-buten-1-yl)-1,3-dioxolo[4,5-h]quinolin-8(9H)-one
| Internal ID | 6c6f1180-1d13-4b18-bbbf-9cf81c6164d7 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones |
| IUPAC Name | 6-methoxy-7-(3-methylbut-2-enyl)-9H-[1,3]dioxolo[4,5-h]quinolin-8-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C3=C(C=C2)OCO3)NC1=O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C3=C(C=C2)OCO3)NC1=O)OC)C |
| InChI | InChI=1S/C16H17NO4/c1-9(2)4-5-11-14(19-3)10-6-7-12-15(21-8-20-12)13(10)17-16(11)18/h4,6-7H,5,8H2,1-3H3,(H,17,18) |
| InChI Key | MZSGQVIOUKMQOL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H17NO4 |
| Molecular Weight | 287.31 g/mol |
| Exact Mass | 287.11575802 g/mol |
| Topological Polar Surface Area (TPSA) | 56.80 Ų |
| XlogP | 2.80 |
| 6-Methoxy-7-(3-methyl-2-buten-1-yl)-1,3-dioxolo[4,5-h]quinolin-8(9H)-one |
| 23417-93-8 |
![2D Structure of 6-Methoxy-7-(3-methyl-2-buten-1-yl)-1,3-dioxolo[4,5-h]quinolin-8(9H)-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-methoxy-7-3-methyl-2-buten-1-yl-13-dioxolo45-hquinolin-89h-one.jpg "2D Structure of 6-Methoxy-7-(3-methyl-2-buten-1-yl)-1,3-dioxolo[4,5-h]quinolin-8(9H)-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.42% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.00% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.91% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.62% | 94.80% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.52% | 85.30% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.06% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.46% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.20% | 96.77% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.09% | 98.59% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.46% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.78% | 96.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.99% | 97.28% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.86% | 96.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.53% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.80% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.71% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.70% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.86% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.27% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.55% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.35% | 94.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.11% | 82.67% |
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.
| Ptelea trifoliata |
| PubChem | 14845307 |
| LOTUS | LTS0072001 |
| wikiData | Q105176002 |