(3S)-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
| Internal ID | 4aef1f91-934f-43be-aa88-909bffa2de23 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 6-O-methylated isoflavonoids |
| IUPAC Name | (3S)-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C(C2=C(C=C1O)OCC(C2=O)C3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1O)OC[C@@H](C2=O)C3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C16H14O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-6,10,17-18,20H,7H2,1H3/t10-/m1/s1 |
| InChI Key | OYUJPVCKGSEYDD-SNVBAGLBSA-N |
| Popularity | 0 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 | 2.50 |
| 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 | 99.52% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.93% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.01% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.98% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.05% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.22% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.00% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.96% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.53% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.12% | 99.15% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.82% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.42% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.61% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.35% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.16% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.55% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.73% | 93.99% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.55% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.41% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.43% | 98.75% |
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.
| Viola hondoensis |
| PubChem | 162993209 |
| LOTUS | LTS0087134 |
| wikiData | Q105203545 |