2,2'-Dihydroxy-3,4,5,6'-tetramethoxy-4',5'-methylenedioxychalcone
| Internal ID | dcc220d1-3fd8-4df0-b74e-42ee5aa31df5 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | 1-(6-hydroxy-4-methoxy-1,3-benzodioxol-5-yl)-3-(2-hydroxy-3,4,5-trimethoxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H20O9/c1-24-13-7-10(16(23)20(27-4)17(13)25-2)5-6-11(21)15-12(22)8-14-18(19(15)26-3)29-9-28-14/h5-8,22-23H,9H2,1-4H3 |
| InChI Key | GHJIQGPMSLGWQW-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C20H20O9 |
| Molecular Weight | 404.40 g/mol |
| Exact Mass | 404.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 3.20 |
| 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 | 99.23% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.37% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.41% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.18% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.68% | 96.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.04% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.03% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.82% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 90.10% | 90.71% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.15% | 85.30% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.69% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.04% | 90.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.42% | 98.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.35% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.84% | 92.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.65% | 89.50% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.84% | 82.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.66% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.02% | 94.00% |
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.
| Scutellaria indica |
| Taraxacum officinale |
| PubChem | 129829857 |
| LOTUS | LTS0125786 |
| wikiData | Q105379916 |