Methyl 2-(1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate
| Internal ID | bbf90f1d-cd36-4bc8-967c-59bd457016c2 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | methyl 2-(1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate |
| SMILES (Canonical) | COC=C(C1=CC2=C(C=C1)OCO2)C(=O)OC |
| SMILES (Isomeric) | COC=C(C1=CC2=C(C=C1)OCO2)C(=O)OC |
| InChI | InChI=1S/C12H12O5/c1-14-6-9(12(13)15-2)8-3-4-10-11(5-8)17-7-16-10/h3-6H,7H2,1-2H3 |
| InChI Key | DYBXROSRNWLPIK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H12O5 |
| Molecular Weight | 236.22 g/mol |
| Exact Mass | 236.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.64% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.05% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.03% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.53% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.23% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.57% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.78% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.95% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.57% | 90.24% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.02% | 80.96% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.98% | 85.30% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.91% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.82% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.48% | 96.09% |
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.
| Amentotaxus formosana |
| PubChem | 85304013 |
| LOTUS | LTS0074749 |
| wikiData | Q104991311 |