5,7-Dihydroxy-2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]chroman-4-one
| Internal ID | 5457cb61-baac-44fb-b16b-18392e153f98 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | 5,7-dihydroxy-2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCOC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C |
| SMILES (Isomeric) | CC(=CCOC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O)C |
| InChI | InChI=1S/C20H20O6/c1-11(2)5-6-25-17-4-3-12(7-14(17)22)18-10-16(24)20-15(23)8-13(21)9-19(20)26-18/h3-5,7-9,18,21-23H,6,10H2,1-2H3 |
| InChI Key | UIFXCAYUHZVWHR-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H20O6 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]chroman-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-2-3-hydroxy-4-3-methylbut-2-enoxyphenylchroman-4-one.jpg "2D Structure of 5,7-Dihydroxy-2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]chroman-4-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.85% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.95% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.83% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.00% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.69% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.68% | 90.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.66% | 96.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.94% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.30% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.06% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.46% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.00% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.15% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.72% | 94.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.72% | 95.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.18% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 83.38% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.01% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.24% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.73% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.65% | 99.15% |
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.
| Monotes engleri |
| PubChem | 85160885 |
| LOTUS | LTS0077655 |
| wikiData | Q105273365 |