Coumaran-6-ol-3-one, 2-[4-hydroxy-3-methoxybenzylidene]-
| Internal ID | d58abd26-f124-4e4e-907a-08aa5ca4b971 |
| Taxonomy | Phenylpropanoids and polyketides > Aurone flavonoids |
| IUPAC Name | (2E)-6-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-benzofuran-3-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/2\C(=O)C3=C(O2)C=C(C=C3)O)O |
| InChI | InChI=1S/C16H12O5/c1-20-14-6-9(2-5-12(14)18)7-15-16(19)11-4-3-10(17)8-13(11)21-15/h2-8,17-18H,1H3/b15-7+ |
| InChI Key | HPSPCMSCDNHZJM-VIZOYTHASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H12O5 |
| Molecular Weight | 284.26 g/mol |
| Exact Mass | 284.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 2.90 |
| Coumaran-6-ol-3-one, 2-[4-hydroxy-3-methoxybenzylidene]- |
| Z196385652 |
| (2E)-6-Hydroxy-2-(4-hydroxy-3-methoxybenzylidene)-1-benzofuran-3(2H)-one # |
![2D Structure of Coumaran-6-ol-3-one, 2-[4-hydroxy-3-methoxybenzylidene]-](https://plantaedb.com/storage/docs/compounds/2023/11/coumaran-6-ol-3-one-2-4-hydroxy-3-methoxybenzylidene-.jpg "2D Structure of Coumaran-6-ol-3-one, 2-[4-hydroxy-3-methoxybenzylidene]-")
| 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 | 98.48% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.69% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.13% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 93.58% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.55% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.89% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.16% | 98.95% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.16% | 80.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.11% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.71% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.95% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.94% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.17% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.89% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.74% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.49% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.91% | 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.
| Dipteryx odorata |
| PubChem | 5378222 |
| LOTUS | LTS0183192 |
| wikiData | Q105031866 |