(2S,3R)-3-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]butan-2-ol
| Internal ID | 735690f0-3089-47af-bc82-2e902df2e9ee |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (2S,3R)-3-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]butan-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H20O4/c1-11(13(3)21)14-4-6-17-16(8-14)12(2)20(24-17)15-5-7-18-19(9-15)23-10-22-18/h4-9,11,13,21H,10H2,1-3H3/t11-,13-/m0/s1 |
| InChI Key | WRKJXAHYNKNVGD-AAEUAGOBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H20O4 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 51.80 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (2S,3R)-3-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]butan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2s3r-3-2-13-benzodioxol-5-yl-3-methyl-1-benzofuran-5-ylbutan-2-ol.jpg "2D Structure of (2S,3R)-3-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]butan-2-ol")
| 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 | 96.04% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.92% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.17% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.66% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.68% | 89.00% |
| CHEMBL240 | Q12809 | HERG | 92.53% | 89.76% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.53% | 94.80% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.19% | 85.14% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.90% | 80.96% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.07% | 94.73% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.15% | 100.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.23% | 93.65% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.85% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.89% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.17% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.54% | 94.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.46% | 93.31% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.99% | 90.24% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.57% | 92.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.32% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.25% | 90.00% |
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.
| Piper aequale |
| PubChem | 162898642 |
| LOTUS | LTS0080364 |
| wikiData | Q105311355 |