Tournefolal
| Internal ID | 40976260-a4fb-41c7-94bd-ba4398dd5e47 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H10O5/c16-7-9-2-4-12(18)15-10(9)6-14(20-15)8-1-3-11(17)13(19)5-8/h1-7,17-19H |
| InChI Key | XQXIDELHPWXTDD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H10O5 |
| Molecular Weight | 270.24 g/mol |
| Exact Mass | 270.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 90.90 Ų |
| XlogP | 2.40 |
| 2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzofuran-4-carbaldehyde |
| CHEMBL465835 |
| SCHEMBL3062880 |
| 4-benzofurancarboxaldehyde, 2-(3,4-dihydroxyphenyl)-7-hydroxy- |
| 2-(3,4-Dihydroxy-phenyl)-7-hydroxy-2,3-dihydro-benzofuran-4-carbaldehyde |
| InChI=1/C15H10O5/c16-7-9-2-4-12(18)15-10(9)6-14(20-15)8-1-3-11(17)13(19)5-8/h1-7,17-19 |
| 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 |
|---|---|---|---|---|
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 99.43% | 98.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.67% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.50% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.91% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 93.60% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.02% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.19% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.83% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.71% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.43% | 94.73% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.22% | 83.57% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.41% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.17% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.53% | 94.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.35% | 83.10% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.52% | 98.35% |
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.
| Heliotropium sarmentosum |
| PubChem | 636753 |
| LOTUS | LTS0010535 |
| wikiData | Q105340163 |