3-[2-(1,3-Benzodioxol-5-yl)-1-benzofuran-5-yl]propyl 2-methylbutanoate
| Internal ID | f109ce1d-489e-445b-9888-344c3896ad41 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propyl 2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H24O5/c1-3-15(2)23(24)25-10-4-5-16-6-8-19-18(11-16)13-21(28-19)17-7-9-20-22(12-17)27-14-26-20/h6-9,11-13,15H,3-5,10,14H2,1-2H3 |
| InChI Key | MBOVWBBJDJPNSN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O5 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 57.90 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 3-[2-(1,3-Benzodioxol-5-yl)-1-benzofuran-5-yl]propyl 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/3-2-13-benzodioxol-5-yl-1-benzofuran-5-ylpropyl-2-methylbutanoate.jpg "2D Structure of 3-[2-(1,3-Benzodioxol-5-yl)-1-benzofuran-5-yl]propyl 2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.28% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.80% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.44% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.37% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.35% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.57% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.95% | 94.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.41% | 85.30% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.48% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.41% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.14% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.83% | 99.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.63% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.15% | 92.62% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.11% | 83.57% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.93% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.97% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.03% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.13% | 95.50% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.93% | 95.78% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.71% | 96.37% |
| CHEMBL268 | P43235 | Cathepsin K | 80.57% | 96.85% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.28% | 94.80% |
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 obassia |
| PubChem | 14018769 |
| LOTUS | LTS0162076 |
| wikiData | Q105160877 |