(2R)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one
| Internal ID | 253f64ab-4e67-4e6c-a787-30e37b6eb420 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | (2R)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one |
| SMILES (Canonical) | CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=C(C=C(C=C4)O)O)(C)C |
| SMILES (Isomeric) | C[C@@H]1C(C2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=C(C=C(C=C4)O)O)(C)C |
| InChI | InChI=1S/C20H18O6/c1-9-20(2,3)17-15(26-9)7-14-16(19(17)24)18(23)12(8-25-14)11-5-4-10(21)6-13(11)22/h4-9,21-22,24H,1-3H3/t9-/m1/s1 |
| InChI Key | ZAJXQDVTLMBORN-SECBINFHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H18O6 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (2R)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r-6-24-dihydroxyphenyl-4-hydroxy-233-trimethyl-2h-furo32-gchromen-5-one.jpg "2D Structure of (2R)-6-(2,4-dihydroxyphenyl)-4-hydroxy-2,3,3-trimethyl-2H-furo[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 | 99.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.58% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.20% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.45% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.31% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.11% | 99.23% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.80% | 85.11% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.37% | 94.42% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.22% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.87% | 99.15% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.74% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.19% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.49% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.36% | 94.75% |
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.
| Flemingia paniculata |
| PubChem | 162903094 |
| LOTUS | LTS0206573 |
| wikiData | Q105369917 |