3-(4-Hydroxy-3,5-dimethoxyphenyl)-8-(3-hydroxy-4-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
| Internal ID | 73b42b13-a0c9-477c-822c-5755640bb209 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 3-hydroxy,4-methoxyisoflavonoids |
| IUPAC Name | 3-(4-hydroxy-3,5-dimethoxyphenyl)-8-(3-hydroxy-4-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2=COC3=C4C(=C(C=C3C2=O)OC)OC(C(O4)CO)C5=CC(=C(C(=C5)OC)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=COC3=C4C(=C(C=C3C2=O)OC)OC(C(O4)CO)C5=CC(=C(C(=C5)OC)O)OC)O |
| InChI | InChI=1S/C28H26O11/c1-33-18-6-5-13(7-17(18)30)16-12-37-26-15(23(16)31)10-21(36-4)27-28(26)38-22(11-29)25(39-27)14-8-19(34-2)24(32)20(9-14)35-3/h5-10,12,22,25,29-30,32H,11H2,1-4H3 |
| InChI Key | PDFRGLKIUUWXHS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H26O11 |
| Molecular Weight | 538.50 g/mol |
| Exact Mass | 538.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 3-(4-Hydroxy-3,5-dimethoxyphenyl)-8-(3-hydroxy-4-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/ece1fa60-8571-11ee-84b9-673ad4e3546d.jpg "2D Structure of 3-(4-Hydroxy-3,5-dimethoxyphenyl)-8-(3-hydroxy-4-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-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 | 98.76% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.02% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.88% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 95.52% | 86.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.38% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.74% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.15% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.00% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.26% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.99% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.48% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.01% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.39% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.50% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.78% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.39% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.17% | 97.09% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.92% | 92.38% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.91% | 93.31% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.90% | 95.78% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.20% | 92.98% |
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.
| Dipteryx odorata |
| PubChem | 162960986 |
| LOTUS | LTS0207232 |
| wikiData | Q105206448 |