(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
| Internal ID | 4df320d4-80f8-44c0-803d-1f9f53c9ca5b |
| Taxonomy | Phenylpropanoids and polyketides > Aurone flavonoids |
| IUPAC Name | (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)/C=C/2\C(=O)C3=C(O2)C=C(C=C3OC)OC)OC |
| InChI | InChI=1S/C19H18O6/c1-21-12-9-15(24-4)18-16(10-12)25-17(19(18)20)8-11-5-6-13(22-2)14(7-11)23-3/h5-10H,1-4H3/b17-8+ |
| InChI Key | CVKDSGICIOMAGA-CAOOACKPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O6 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/2e-2-34-dimethoxyphenylmethylidene-46-dimethoxy-1-benzofuran-3-one.jpg "2D Structure of (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL5393 | Q9UNQ0 | ATP-binding cassette sub-family G member 2 |
910 nM |
EC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.82% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.79% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.40% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.69% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.24% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.81% | 91.11% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 85.86% | 92.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.78% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.14% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.24% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.03% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.25% | 98.75% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 82.21% | 92.86% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.62% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.24% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.04% | 95.89% |
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.
| Cyperus capitatus |
| PubChem | 124355909 |
| LOTUS | LTS0207878 |
| wikiData | Q104970804 |