3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e
| Internal ID | ab7c88bc-9e49-4c6d-b378-4b238c3e041a |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids |
| IUPAC Name | (3E)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methylidene]-6-methoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C2=C(C=C1O)OCC(=CC3=CC=C(C=C3)O)C2=O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1O)OC/C(=C\C3=CC=C(C=C3)O)/C2=O)O |
| InChI | InChI=1S/C17H14O6/c1-22-17-12(19)7-13-14(16(17)21)15(20)10(8-23-13)6-9-2-4-11(18)5-3-9/h2-7,18-19,21H,8H2,1H3/b10-6+ |
| InChI Key | XBKVYKNZOWKIBD-UXBLZVDNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H14O6 |
| Molecular Weight | 314.29 g/mol |
| Exact Mass | 314.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 2.80 |
| CHEMBL1976800 |
| NSC-720875 |
| 3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-4-on e |
| (e)-5,7-dihydroxy-6-methoxy-3-(4'-hydroxybenzylidene)-4-chromanone |
| 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 | 98.56% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.72% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.87% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.25% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.52% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.33% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.31% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 85.51% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.73% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.72% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.54% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.49% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.86% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.27% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.22% | 95.89% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.99% | 92.68% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.17% | 96.12% |
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.
| Eucomis autumnalis |
| Schizocarphus nervosus |
| PubChem | 5472706 |
| LOTUS | LTS0065440 |
| wikiData | Q105324556 |