3-[(3,4-Dihydroxyphenyl)methylidene]-7-hydroxy-2-benzofuran-1-one
| Internal ID | d23a6747-18d7-4baf-bdbf-2c0b78148e30 |
| Taxonomy | Organoheterocyclic compounds > Isocoumarans > Isobenzofuranones |
| IUPAC Name | 3-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-2-benzofuran-1-one |
| SMILES (Canonical) | C1=CC2=C(C(=C1)O)C(=O)OC2=CC3=CC(=C(C=C3)O)O |
| SMILES (Isomeric) | C1=CC2=C(C(=C1)O)C(=O)OC2=CC3=CC(=C(C=C3)O)O |
| InChI | InChI=1S/C15H10O5/c16-10-5-4-8(6-12(10)18)7-13-9-2-1-3-11(17)14(9)15(19)20-13/h1-7,16-18H |
| InChI Key | CFXQRFYFWXTZOJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H10O5 |
| Molecular Weight | 270.24 g/mol |
| Exact Mass | 270.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 3-[(3,4-Dihydroxyphenyl)methylidene]-7-hydroxy-2-benzofuran-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-34-dihydroxyphenylmethylidene-7-hydroxy-2-benzofuran-1-one.jpg "2D Structure of 3-[(3,4-Dihydroxyphenyl)methylidene]-7-hydroxy-2-benzofuran-1-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.67% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.89% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.79% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.87% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.57% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.29% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.68% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.81% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.09% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 87.16% | 90.71% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.72% | 96.12% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.01% | 80.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.98% | 98.75% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.60% | 83.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.48% | 93.40% |
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.
| Hydrangea macrophylla |
| Scorzonera psychrophila |
| PubChem | 132811 |
| LOTUS | LTS0260650 |
| wikiData | Q104957232 |