(3R)-3-ethoxy-7-methoxy-6-methyl-5-(3-methylbut-2-enoxy)-1-oxo-3H-2-benzofuran-4-carbaldehyde
| Internal ID | b5cbd2ad-7e09-4f9d-8452-912b48c19c62 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Benzofuranones |
| IUPAC Name | (3R)-3-ethoxy-7-methoxy-6-methyl-5-(3-methylbut-2-enoxy)-1-oxo-3H-2-benzofuran-4-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H22O6/c1-6-22-18-13-12(9-19)15(23-8-7-10(2)3)11(4)16(21-5)14(13)17(20)24-18/h7,9,18H,6,8H2,1-5H3/t18-/m1/s1 |
| InChI Key | MAZUBWIGPYRZLF-GOSISDBHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H22O6 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 3.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.08% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.24% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.99% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.68% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.60% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.55% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.52% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.08% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.85% | 99.17% |
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.
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| There are no matching plants. |
| PubChem | 163021477 |
| LOTUS | LTS0107686 |
| wikiData | Q105160590 |