5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
| Internal ID | f574c5be-adab-40ed-9c81-605dd01c8534 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 4-O-methylated flavonoids |
| IUPAC Name | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| InChI | InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3 |
| InChI Key | AIONOLUJZLIMTK-UHFFFAOYSA-N |
| Popularity | 299 references in papers |
| Molecular Formula | C16H14O6 |
| Molecular Weight | 302.28 g/mol |
| Exact Mass | 302.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 2.40 |
| rac-Hesperetin |
| (Rac)-Hesperetin |
| (R)-Hesperetin |
| (+/-)-Hesperetin |
| 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one |
| NSC641520 |
| 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| MLS002667896 |
| 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one |
| (2S)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone, 3',5,7-Trihydroxy-4-methoxyflavanone |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL3729 | P22748 | Carbonic anhydrase IV |
102.1 nM |
Ki |
via Super-PRED
|
| CHEMBL2326 | P43166 | Carbonic anhydrase VII |
3.3 nM |
Ki |
via Super-PRED
|
| CHEMBL3242 | O43570 | Carbonic anhydrase XII |
454.1 nM |
Ki |
via Super-PRED
|
| CHEMBL4878 | Q16678 | Cytochrome P450 1B1 |
511 nM |
IC50 |
via Super-PRED
|
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV |
280 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.94% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.84% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.43% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.41% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.27% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.73% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.37% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.29% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.03% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.22% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.80% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 86.86% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.69% | 95.89% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 86.51% | 96.12% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.05% | 98.75% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.77% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.78% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.14% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.57% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.26% | 97.14% |
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.
| Artemisia xanthochroa |
| Brickellia vernicosa |
| Chrysothamnus viscidiflorus |
| Citrus × aurantium |
| Dalbergia parviflora |
| PubChem | 3593 |
| LOTUS | LTS0070100 |
| wikiData | Q27166968 |