(2S)-2-[(3,4-dihydroxyphenyl)methyl]-2,4,6-trihydroxy-1-benzofuran-3-one
| Internal ID | 302b1618-e442-478a-883c-65ce53435ad9 |
| Taxonomy | Phenylpropanoids and polyketides > Aurone flavonoids > Auronols |
| IUPAC Name | (2S)-2-[(3,4-dihydroxyphenyl)methyl]-2,4,6-trihydroxy-1-benzofuran-3-one |
| SMILES (Canonical) | C1=CC(=C(C=C1CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C[C@]2(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
| InChI | InChI=1S/C15H12O7/c16-8-4-11(19)13-12(5-8)22-15(21,14(13)20)6-7-1-2-9(17)10(18)3-7/h1-5,16-19,21H,6H2/t15-/m0/s1 |
| InChI Key | VCLACNNZBMRRES-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H12O7 |
| Molecular Weight | 304.25 g/mol |
| Exact Mass | 304.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[(3,4-dihydroxyphenyl)methyl]-2,4,6-trihydroxy-1-benzofuran-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-34-dihydroxyphenylmethyl-246-trihydroxy-1-benzofuran-3-one.jpg "2D Structure of (2S)-2-[(3,4-dihydroxyphenyl)methyl]-2,4,6-trihydroxy-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 | 99.26% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.56% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.45% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.41% | 95.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.64% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.19% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 86.20% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.88% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.34% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.05% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.03% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.97% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.65% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.92% | 94.73% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.87% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.86% | 86.33% |
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.
| Alphitonia excelsa |
| PubChem | 101534821 |
| LOTUS | LTS0222873 |
| wikiData | Q105283760 |