(2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-2,3-dihydrochromen-5-olate
| Internal ID | 9c4d73b2-3d62-458f-a584-c5e9841ed45c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | (2R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-2,3-dihydrochromen-5-olate |
| SMILES (Canonical) | C1C(OC2=CC(=CC(=C2C1=O)[O-])O)C3=CC(=C(C=C3)O)O |
| SMILES (Isomeric) | C1[C@@H](OC2=CC(=CC(=C2C1=O)[O-])O)C3=CC(=C(C=C3)O)O |
| InChI | InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/p-1/t13-/m1/s1 |
| InChI Key | SBHXYTNGIZCORC-CYBMUJFWSA-M |
| Popularity | 0 references in papers |
| Molecular Formula | C15H11O6- |
| Molecular Weight | 287.24 g/mol |
| Exact Mass | 287.05556307 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 2.10 |
| 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 | 98.89% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.88% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.86% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.49% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.62% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.29% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.90% | 83.82% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.66% | 93.40% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.51% | 85.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.19% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.46% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.90% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.52% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.48% | 94.80% |
| CHEMBL3194 | P02766 | Transthyretin | 84.46% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.00% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.08% | 91.49% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.20% | 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.
| Chrysanthemum indicum |
| Ligustrum lucidum |
| Onopordum acanthium |
| Phyllanthus emblica |
| Prunus dulcis |
| Pteris multifida |
| Scutellaria baicalensis |
| Scutellaria barbata |
| Viscum album |