4-Methoxy-7-methyl-9H-1,3-dioxolo[4,5-h][2]benzopyran-9-one
| Internal ID | b635c706-04f9-438d-8ae0-baa5b04ac7b4 |
| Taxonomy | Phenylpropanoids and polyketides > Isocoumarins and derivatives |
| IUPAC Name | 4-methoxy-7-methyl-[1,3]dioxolo[4,5-h]isochromen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H10O5/c1-6-3-7-4-8(14-2)10-11(16-5-15-10)9(7)12(13)17-6/h3-4H,5H2,1-2H3 |
| InChI Key | YINZUJVHTBWVFM-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H10O5 |
| Molecular Weight | 234.20 g/mol |
| Exact Mass | 234.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 2.10 |
| 4-Methoxy-7-methyl-9H-1,3-dioxolo[4,5-h][2]benzopyran-9-one |
| 4-Methoxy-7-methyl-9H-1,3-dioxolo(4,5-h)(2)benzopyran-9-one |
| RefChem:293913 |
| DTXSID601187453 |
| 4-Methoxy-7-methyl-2H,9H-[1,3]dioxolo[4,5-h][2]benzopyran-9-one |
![2D Structure of 4-Methoxy-7-methyl-9H-1,3-dioxolo[4,5-h][2]benzopyran-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-methoxy-7-methyl-9h-13-dioxolo45-h2benzopyran-9-one.jpg "2D Structure of 4-Methoxy-7-methyl-9H-1,3-dioxolo[4,5-h][2]benzopyran-9-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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.07% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.92% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.14% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.81% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.41% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.37% | 89.63% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.74% | 94.73% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.56% | 85.30% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.42% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.40% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.98% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.24% | 92.62% |
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.
| Wettsteinia inversa |
| PubChem | 10331575 |
| LOTUS | LTS0077998 |
| wikiData | Q105348931 |