1a-(3,4-Dihydroxyphenyl)-4,6-dihydroxy-7a-(2,4,6-trihydroxyphenyl)oxireno[2,3-b]chromen-7-one
| Internal ID | fe825686-8bc9-48b2-9d49-419a5bc5dcbe |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | 1a-(3,4-dihydroxyphenyl)-4,6-dihydroxy-7a-(2,4,6-trihydroxyphenyl)oxireno[2,3-b]chromen-7-one |
| SMILES (Canonical) | C1=CC(=C(C=C1C23C(O2)(C(=O)C4=C(C=C(C=C4O3)O)O)C5=C(C=C(C=C5O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C23C(O2)(C(=O)C4=C(C=C(C=C4O3)O)O)C5=C(C=C(C=C5O)O)O)O)O |
| InChI | InChI=1S/C21H14O10/c22-9-5-14(27)18(15(28)6-9)20-19(29)17-13(26)4-10(23)7-16(17)30-21(20,31-20)8-1-2-11(24)12(25)3-8/h1-7,22-28H |
| InChI Key | SBHYGQAFJHMNEF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H14O10 |
| Molecular Weight | 426.30 g/mol |
| Exact Mass | 426.05869664 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 1a-(3,4-Dihydroxyphenyl)-4,6-dihydroxy-7a-(2,4,6-trihydroxyphenyl)oxireno[2,3-b]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/1a-34-dihydroxyphenyl-46-dihydroxy-7a-246-trihydroxyphenyloxireno23-bchromen-7-one.jpg "2D Structure of 1a-(3,4-Dihydroxyphenyl)-4,6-dihydroxy-7a-(2,4,6-trihydroxyphenyl)oxireno[2,3-b]chromen-7-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 | 99.07% | 91.11% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.46% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.33% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.90% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.91% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.26% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.99% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 87.97% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.97% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.99% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.74% | 90.00% |
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.
| Allium cepa |
| PubChem | 11553652 |
| LOTUS | LTS0076633 |
| wikiData | Q105249473 |