(2s)-3'-Hydroxy-5',7-dimethoxyflavanone
| Internal ID | 439f7602-b36d-459b-be91-e7dcc73286d9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | (2S)-2-(3-hydroxy-5-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC(=CC(=C3)OC)O |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C(=O)C[C@H](O2)C3=CC(=CC(=C3)OC)O |
| InChI | InChI=1S/C17H16O5/c1-20-12-3-4-14-15(19)9-16(22-17(14)8-12)10-5-11(18)7-13(6-10)21-2/h3-8,16,18H,9H2,1-2H3/t16-/m0/s1 |
| InChI Key | VFPMUOCOLCTVTF-INIZCTEOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H16O5 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 2.50 |
| 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 | 98.75% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.80% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.74% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.78% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.18% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.45% | 90.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.42% | 92.51% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.43% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.63% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.35% | 99.15% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.62% | 93.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.23% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.19% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.80% | 99.23% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.68% | 96.12% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.71% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.12% | 85.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.59% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.49% | 89.00% |
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.
| Ligularia macrophylla |
| PubChem | 24778008 |
| LOTUS | LTS0168891 |
| wikiData | Q105285499 |