(3S)-5,7-dihydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | a4e0b301-9da0-4c8e-ac80-99231e45c696 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 3-O-methylated isoflavonoids |
| IUPAC Name | (3S)-5,7-dihydroxy-3-(4-hydroxy-2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1OC)O)C2COC3=CC(=CC(=C3C2=O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1OC)O)[C@H]2COC3=CC(=CC(=C3C2=O)O)O |
| InChI | InChI=1S/C17H16O7/c1-22-16-9(3-4-11(19)17(16)23-2)10-7-24-13-6-8(18)5-12(20)14(13)15(10)21/h3-6,10,18-20H,7H2,1-2H3/t10-/m1/s1 |
| InChI Key | KPBUWUOWFRHOIU-SNVBAGLBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16O7 |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 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 | 99.31% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.21% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.05% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.97% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.82% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.73% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.79% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.15% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.89% | 98.75% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.70% | 96.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.44% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.36% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.26% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.72% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.92% | 91.19% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.36% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.32% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.05% | 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.
| Lespedeza cyrtobotrya |
| Poecilanthe parviflora |
| Uraria picta |
| PubChem | 163018343 |
| LOTUS | LTS0186358 |
| wikiData | Q105144099 |