5-Vinylbenzo[d][1,3]dioxole
| Internal ID | aa2c3fc7-0cb0-499e-ab84-8589095acb01 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 5-ethenyl-1,3-benzodioxole |
| SMILES (Canonical) | C=CC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | C=CC1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C9H8O2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h2-5H,1,6H2 |
| InChI Key | VWAVZAMMNJMAEM-UHFFFAOYSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C9H8O2 |
| Molecular Weight | 148.16 g/mol |
| Exact Mass | 148.052429494 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 2.90 |
| 7315-32-4 |
| 5-ethenyl-1,3-benzodioxole |
| 1,3-Benzodioxole, 5-ethenyl- |
| 3,4-methylenedioxystyrene |
| 5-vinyl-1,3-benzodioxole |
| 5-ethenyl-1,3-dioxaindane |
| 5-vinyl-benzo[1,3]dioxole |
| SCHEMBL81382 |
| SCHEMBL10110727 |
| DTXSID30223407 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 5-Vinylbenzo[d][1,3]dioxole](https://plantaedb.com/storage/docs/compounds/2023/11/5-vinylbenzod13dioxole.jpg "2D Structure of 5-Vinylbenzo[d][1,3]dioxole")
| 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 | 98.54% | 92.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.57% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.95% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.91% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 91.08% | 89.76% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.83% | 80.96% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.56% | 91.49% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.88% | 85.30% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.58% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.57% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.34% | 95.56% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 84.90% | 81.29% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.25% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.77% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.21% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.52% | 96.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.23% | 86.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.98% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.57% | 100.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.42% | 96.00% |
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.
| Ruta graveolens |
| PubChem | 138986 |
| LOTUS | LTS0187203 |
| wikiData | Q83101849 |