6-[2-(1,3-Benzodioxol-5-yl)ethenyl]pyran-2-one
| Internal ID | df3a122a-67f0-4762-8502-ce4b9af8127e |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 6-[2-(1,3-benzodioxol-5-yl)ethenyl]pyran-2-one |
| SMILES (Canonical) | C1OC2=C(O1)C=C(C=C2)C=CC3=CC=CC(=O)O3 |
| SMILES (Isomeric) | C1OC2=C(O1)C=C(C=C2)C=CC3=CC=CC(=O)O3 |
| InChI | InChI=1S/C14H10O4/c15-14-3-1-2-11(18-14)6-4-10-5-7-12-13(8-10)17-9-16-12/h1-8H,9H2 |
| InChI Key | HVUYPPPEYCNSFQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H10O4 |
| Molecular Weight | 242.23 g/mol |
| Exact Mass | 242.05790880 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 6-[2-(1,3-Benzodioxol-5-yl)ethenyl]pyran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-2-13-benzodioxol-5-ylethenylpyran-2-one.jpg "2D Structure of 6-[2-(1,3-Benzodioxol-5-yl)ethenyl]pyran-2-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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 99.06% | 92.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.93% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 97.23% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.43% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.95% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.58% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 93.16% | 85.30% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.92% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.36% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.24% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.37% | 89.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.33% | 80.96% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.38% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.63% | 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 parviflora |
| PubChem | 85312600 |
| LOTUS | LTS0200166 |
| wikiData | Q105034454 |