(2R)-1-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]propan-2-ol
| Internal ID | 676604af-8676-4bd8-a60a-ba1a9da5758c |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (2R)-1-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]propan-2-ol |
| SMILES (Canonical) | CC1=C(OC2=C1C=C(C=C2)CC(C)O)C3=CC4=C(C=C3)OCO4 |
| SMILES (Isomeric) | CC1=C(OC2=C1C=C(C=C2)C[C@@H](C)O)C3=CC4=C(C=C3)OCO4 |
| InChI | InChI=1S/C19H18O4/c1-11(20)7-13-3-5-16-15(8-13)12(2)19(23-16)14-4-6-17-18(9-14)22-10-21-17/h3-6,8-9,11,20H,7,10H2,1-2H3/t11-/m1/s1 |
| InChI Key | OZCJOPYBHVAKKB-LLVKDONJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O4 |
| Molecular Weight | 310.30 g/mol |
| Exact Mass | 310.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 51.80 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (2R)-1-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]propan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2r-1-2-13-benzodioxol-5-yl-3-methyl-1-benzofuran-5-ylpropan-2-ol.jpg "2D Structure of (2R)-1-[2-(1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]propan-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.41% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 98.39% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.76% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.42% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.66% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.62% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.51% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.54% | 94.80% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.40% | 95.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.79% | 90.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.67% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.05% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.57% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.87% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.84% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.79% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.18% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.85% | 93.65% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.84% | 80.96% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.58% | 90.71% |
| CHEMBL4393 | P39900 | Matrix metalloproteinase 12 | 80.53% | 92.22% |
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.
| Eupomatia laurina |
| PubChem | 101297683 |
| LOTUS | LTS0209621 |
| wikiData | Q105203679 |