(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
| Internal ID | 36dc0c34-29de-40f0-b7b8-9498ddc78282 |
| Taxonomy | Phenylpropanoids and polyketides > Aurone flavonoids |
| IUPAC Name | (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C=C2C(=O)C3=C(C=C(C=C3O2)O)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(C=C(C=C3O2)O)O)OC |
| InChI | InChI=1S/C17H14O6/c1-21-12-4-3-9(5-13(12)22-2)6-15-17(20)16-11(19)7-10(18)8-14(16)23-15/h3-8,18-19H,1-2H3/b15-6- |
| InChI Key | BZIWUSANDYRNLN-UUASQNMZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H14O6 |
| Molecular Weight | 314.29 g/mol |
| Exact Mass | 314.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 3.40 |
| SCHEMBL21199302 |
![2D Structure of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/2z-2-34-dimethoxyphenylmethylidene-46-dihydroxy-1-benzofuran-3-one.jpg "2D Structure of (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,6-dihydroxy-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 |
|---|---|---|---|---|---|
| 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 | 96.18% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.04% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.88% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.16% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.62% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 93.47% | 96.12% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.86% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 92.31% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.42% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.85% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.57% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.43% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.08% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.86% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.22% | 90.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.88% | 90.20% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.59% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.25% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.37% | 92.94% |
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.
| Zinnia elegans |
| PubChem | 59971483 |
| LOTUS | LTS0214706 |
| wikiData | Q104950486 |