7-Hydroxy-5-methoxy-3-(3,4-dihydroxybenzylidene)chromane-4-one
| Internal ID | c49464e7-b413-423a-9296-04cece394587 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids |
| IUPAC Name | 3-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-5-methoxychromen-4-one |
| SMILES (Canonical) | COC1=CC(=CC2=C1C(=O)C(=CC3=CC(=C(C=C3)O)O)CO2)O |
| SMILES (Isomeric) | COC1=CC(=CC2=C1C(=O)C(=CC3=CC(=C(C=C3)O)O)CO2)O |
| InChI | InChI=1S/C17H14O6/c1-22-14-6-11(18)7-15-16(14)17(21)10(8-23-15)4-9-2-3-12(19)13(20)5-9/h2-7,18-20H,8H2,1H3 |
| InChI Key | HZEFXIWDWIWKPZ-UHFFFAOYSA-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 | 2.20 |
| There are no found synonyms. |
| 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 | 98.73% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.75% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.81% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.76% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.54% | 89.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.25% | 96.12% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.89% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.86% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 88.94% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.82% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.02% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.93% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.91% | 96.09% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.33% | 92.68% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.86% | 80.78% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.65% | 83.82% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.38% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.99% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.76% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.66% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.70% | 95.89% |
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.
| Muscari neglectum |
| PubChem | 129847677 |
| LOTUS | LTS0088943 |
| wikiData | Q105035629 |