(2R,3R,7R)-7-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-9-fluoro-4-hydroxy-2-(4-hydroxyphenyl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
| Internal ID | d0fc45e4-89a0-495a-9dbc-06c53ed18e83 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (2R,3R,7R)-7-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-9-fluoro-4-hydroxy-2-(4-hydroxyphenyl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H21FO9/c30-25-28-23(20(36)11-21(38-28)18-6-5-15(32)10-19(18)35)26(37)24-22(13-7-16(33)9-17(34)8-13)27(39-29(24)25)12-1-3-14(31)4-2-12/h1-10,21-22,27,31-35,37H,11H2/t21-,22-,27+/m1/s1 |
| InChI Key | QINVJYDCNGLLNA-LOYIFYEOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H21FO9 |
| Molecular Weight | 532.50 g/mol |
| Exact Mass | 532.11696041 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (2R,3R,7R)-7-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-9-fluoro-4-hydroxy-2-(4-hydroxyphenyl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/b7b618a0-8361-11ee-935c-f18a0e34140b.jpg "2D Structure of (2R,3R,7R)-7-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-9-fluoro-4-hydroxy-2-(4-hydroxyphenyl)-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-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 | 98.73% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.04% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.59% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.34% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 92.77% | 95.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.04% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.00% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.89% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.74% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.91% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.51% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.51% | 93.99% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.31% | 85.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.69% | 90.71% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.51% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.54% | 86.33% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.69% | 89.67% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.98% | 91.79% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 81.36% | 83.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.24% | 94.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.56% | 96.38% |
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.
| Sophora alopecuroides |
| PubChem | 122184220 |
| LOTUS | LTS0164447 |
| wikiData | Q105221519 |