(2R)-2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-one
| Internal ID | 3fc13eae-fd59-4397-8e99-8c97fdcec24d |
| Taxonomy | Phenylpropanoids and polyketides > Aurone flavonoids > Auronols |
| IUPAC Name | (2R)-2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-one |
| SMILES (Canonical) | C1=CC(=CC=C1CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C[C@@]2(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| InChI | InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)7-15(20)14(19)13-11(18)5-10(17)6-12(13)21-15/h1-6,16-18,20H,7H2/t15-/m1/s1 |
| InChI Key | LOFYFDPXORJJEE-OAHLLOKOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H12O6 |
| Molecular Weight | 288.25 g/mol |
| Exact Mass | 288.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 2.20 |
| CS-0089702 |
![2D Structure of (2R)-2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r-246-trihydroxy-2-4-hydroxyphenylmethyl-1-benzofuran-3-one.jpg "2D Structure of (2R)-2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-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 | 98.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.33% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.12% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.99% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.73% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.85% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.14% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.79% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 83.39% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.31% | 95.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.37% | 96.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.25% | 90.93% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.62% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.03% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.92% | 94.73% |
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.
| Ceanothus americanus |
| Rheum australe |
| PubChem | 40582647 |
| LOTUS | LTS0119101 |
| wikiData | Q105154689 |