2-(3,4-Dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-8-(4-methoxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
| Internal ID | ee25f02f-b1fe-4f1b-8824-044bc51b8980 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-8-(4-methoxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC4=C3OC(C(O4)C5=CC(=CC(=C5)O)O)C6=CC(=C(C=C6)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC4=C3OC(C(O4)C5=CC(=CC(=C5)O)O)C6=CC(=C(C=C6)O)O |
| InChI | InChI=1S/C30H22O9/c1-36-20-5-2-15(3-6-20)22-14-37-29-21(26(22)35)7-9-25-30(29)39-27(16-4-8-23(33)24(34)12-16)28(38-25)17-10-18(31)13-19(32)11-17/h2-14,27-28,31-34H,1H3 |
| InChI Key | WDFFRXAWIRCQKY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H22O9 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 2-(3,4-Dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-8-(4-methoxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/20122ac0-859c-11ee-b6f6-6f3dcf20678e.jpg "2D Structure of 2-(3,4-Dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-8-(4-methoxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one")
| 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 | 99.55% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.47% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.98% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.55% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.06% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.67% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.82% | 99.23% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.90% | 93.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.64% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.46% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.05% | 86.33% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 88.79% | 88.48% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.13% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.08% | 86.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.88% | 97.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.05% | 96.12% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.77% | 99.17% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.40% | 95.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.42% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.05% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.04% | 92.62% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 82.80% | 95.55% |
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.
| Maackia amurensis |
| PubChem | 162880579 |
| LOTUS | LTS0083083 |
| wikiData | Q104393896 |