2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Internal ID | b615adf1-61c7-4fac-90f4-97c577031f9a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-8-O-glycosides |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O |
| InChI | InChI=1S/C21H20O12/c22-6-14-16(28)17(29)18(30)21(32-14)33-19-12(27)4-10(25)15-11(26)5-13(31-20(15)19)7-1-2-8(23)9(24)3-7/h1-5,14,16-18,21-25,27-30H,6H2 |
| InChI Key | LQSNPVIQIPKOGP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O12 |
| Molecular Weight | 464.40 g/mol |
| Exact Mass | 464.09547607 g/mol |
| Topological Polar Surface Area (TPSA) | 207.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/078ea200-85d8-11ee-bd19-510579445961.jpg "2D Structure of 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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 | 99.48% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.00% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.08% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.38% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.92% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.46% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.92% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.26% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 86.59% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.73% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.59% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.31% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.51% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.86% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.00% | 95.56% |
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.
| Begonia erythrophylla |
| Crataegus monogyna |
| Crotalaria sessiliflora |
| Daphne gnidium |
| Lythrum salicaria |
| Podocarpus fasciculus |
| Setaria italica |
| Sideritis leucantha |
| Sideritis pungens |
| Trigonella grandiflora |
| PubChem | 13988639 |
| LOTUS | LTS0237500 |
| wikiData | Q105155762 |