6-(2H-1,3-Benzodioxol-5-yl)-4-methoxy-2H-pyran-2-one
| Internal ID | 81d6633e-3e12-4b2d-b2c0-bff76b2137f1 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 6-(1,3-benzodioxol-5-yl)-4-methoxypyran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H10O5/c1-15-9-5-11(18-13(14)6-9)8-2-3-10-12(4-8)17-7-16-10/h2-6H,7H2,1H3 |
| InChI Key | ZSJPJQCPMSZDJX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H10O5 |
| Molecular Weight | 246.21 g/mol |
| Exact Mass | 246.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 1.90 |
| NSC68685 |
| 6-(2H-1,3-Benzodioxol-5-yl)-4-methoxy-2H-pyran-2-one |
| DTXSID70290451 |
| NSC-68685 |
| 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 | 98.93% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.48% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.54% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.19% | 85.14% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 94.95% | 85.30% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 94.51% | 80.96% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.39% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.22% | 94.80% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.74% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.84% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.84% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.34% | 99.15% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.29% | 93.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.14% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.82% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.43% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.70% | 96.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.68% | 82.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.57% | 94.73% |
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.
| Aniba firmula |
| Aniba permollis |
| PubChem | 249889 |
| LOTUS | LTS0076952 |
| wikiData | Q82028115 |