3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl benzoate
| Internal ID | 87b147b5-4698-454c-9831-980fba34ad2e |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H22O6/c1-28-24-13-17(6-5-11-29-26(27)18-7-3-2-4-8-18)12-20-15-22(32-25(20)24)19-9-10-21-23(14-19)31-16-30-21/h2-4,7-10,12-15H,5-6,11,16H2,1H3 |
| InChI Key | XHOCRIAOIUVTRF-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C26H22O6 |
| Molecular Weight | 430.40 g/mol |
| Exact Mass | 430.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 67.10 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/3-2-13-benzodioxol-5-yl-7-methoxy-1-benzofuran-5-ylpropyl-benzoate.jpg "2D Structure of 3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.78% | 95.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.10% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.06% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.71% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.23% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.36% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.39% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 88.99% | 89.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.43% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.37% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.91% | 96.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.88% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.76% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.48% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.09% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.67% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.63% | 90.71% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.20% | 85.30% |
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.
| Styrax officinalis |
| PubChem | 44577199 |
| LOTUS | LTS0145058 |
| wikiData | Q105328220 |