(1aS)-1a-(3,4-dihydroxyphenyl)-7a-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-4,6-dihydroxyoxireno[2,3-b]chromen-7-one
| Internal ID | f6786db8-28ac-4041-b3aa-34471ef827b7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | (1aS)-1a-(3,4-dihydroxyphenyl)-7a-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-4,6-dihydroxyoxireno[2,3-b]chromen-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H18O14/c31-12-7-17(36)21-20(8-12)43-30(11-2-4-14(33)16(35)6-11)29(44-30,28(21)41)23-19(38)9-18(37)22-24(39)25(40)26(42-27(22)23)10-1-3-13(32)15(34)5-10/h1-9,31-38,40H/t29?,30-/m0/s1 |
| InChI Key | GDJLVXBHOZHHNY-ZSXSBBPPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H18O14 |
| Molecular Weight | 602.50 g/mol |
| Exact Mass | 602.06965524 g/mol |
| Topological Polar Surface Area (TPSA) | 247.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (1aS)-1a-(3,4-dihydroxyphenyl)-7a-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-4,6-dihydroxyoxireno[2,3-b]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/81f3e890-8545-11ee-ab54-e73fc5f57ee6.jpg "2D Structure of (1aS)-1a-(3,4-dihydroxyphenyl)-7a-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-yl]-4,6-dihydroxyoxireno[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 | 99.75% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.68% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.19% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.81% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 95.61% | 96.12% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.71% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.92% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 91.43% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.38% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.50% | 85.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.45% | 95.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.67% | 85.30% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.30% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.25% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.50% | 94.42% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.05% | 93.10% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.31% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.67% | 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.
| Allium cepa |
| PubChem | 163195065 |
| LOTUS | LTS0221386 |
| wikiData | Q105006742 |