5,7-Dihydroxy-3-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | 1a78c2d9-f35f-485c-b266-8865d76f0b27 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 5,7-dihydroxy-3-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)OC)O)C4C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)OC)O)C4C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O |
| InChI | InChI=1S/C32H26O10/c1-39-19-9-5-16(6-10-19)32-28(30(38)26-22(36)13-20(40-2)14-24(26)42-32)27-29(37)25-21(35)11-18(34)12-23(25)41-31(27)15-3-7-17(33)8-4-15/h3-14,27-28,31-36H,1-2H3 |
| InChI Key | BFPJOJFVZXWMSM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H26O10 |
| Molecular Weight | 570.50 g/mol |
| Exact Mass | 570.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-3-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/6654ddb0-855e-11ee-89c0-77af791e9ff1.jpg "2D Structure of 5,7-Dihydroxy-3-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-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 | 98.97% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 97.20% | 89.76% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.65% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.34% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.50% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.31% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.89% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.63% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.57% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.79% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.66% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.99% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.99% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.49% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.83% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.56% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.39% | 94.45% |
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.
| Stellera chamaejasme |
| PubChem | 72769051 |
| LOTUS | LTS0226808 |
| wikiData | Q104934700 |