Ethyl 3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate
| Internal ID | 0f806458-b323-4d55-b42f-7bf8eb22ec8d |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | ethyl 3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate |
| SMILES (Canonical) | CCOC(=O)CCC1=CC2=C(C(=C1)OC)OCO2 |
| SMILES (Isomeric) | CCOC(=O)CCC1=CC2=C(C(=C1)OC)OCO2 |
| InChI | InChI=1S/C13H16O5/c1-3-16-12(14)5-4-9-6-10(15-2)13-11(7-9)17-8-18-13/h6-7H,3-5,8H2,1-2H3 |
| InChI Key | FHQRYJGUTVTELV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H16O5 |
| Molecular Weight | 252.26 g/mol |
| Exact Mass | 252.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 2.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.08% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.67% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.44% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.87% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.83% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.40% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.56% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.36% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.29% | 85.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.22% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.16% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.99% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.80% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.04% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.06% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.99% | 90.71% |
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.
| Piper montealegreanum |
| PubChem | 20138667 |
| LOTUS | LTS0080876 |
| wikiData | Q104995412 |