2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
| Internal ID | 4bd7ee74-033f-47e8-b0a2-58b220d9e8a8 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | C1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O |
| InChI | InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17-,20+/m1/s1 |
| InChI Key | PZZRDJXEMZMZFD-SQIUQIIDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H18O11 |
| Molecular Weight | 434.30 g/mol |
| Exact Mass | 434.08491139 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 0.40 |
| Q23417673 |
![2D Structure of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-34-dihydroxyphenyl-57-dihydroxy-3-2s3r4r5r-345-trihydroxyoxan-2-yloxychromen-4-one.jpg "2D Structure of 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-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 | 99.59% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.69% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.00% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.01% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.76% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.92% | 94.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.53% | 96.12% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.76% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.89% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.86% | 94.45% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.43% | 95.78% |
| CHEMBL3194 | P02766 | Transthyretin | 86.95% | 90.71% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.73% | 95.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.08% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.84% | 86.33% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.22% | 95.53% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.29% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.82% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.66% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.46% | 96.09% |
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.
| Eucalyptus cypellocarpa |
| Hypericum erectum |
| PubChem | 51652818 |
| LOTUS | LTS0173695 |
| wikiData | Q23417673 |