2-(2'-O-Trans-Coumaroyl)-C-Beta-D-Glucopyranosyl-1,3,6,7-Tetrahydroxyxanthone
| Internal ID | 43579d9e-1f80-43af-be18-d1e0d88122c6 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H24O13/c29-10-19-24(36)26(38)28(41-20(34)6-3-11-1-4-12(30)5-2-11)27(40-19)21-16(33)9-18-22(25(21)37)23(35)13-7-14(31)15(32)8-17(13)39-18/h1-9,19,24,26-33,36-38H,10H2/b6-3+/t19-,24-,26+,27+,28-/m1/s1 |
| InChI Key | IEOFCWJJHJJKMH-CUZKZROISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H24O13 |
| Molecular Weight | 568.50 g/mol |
| Exact Mass | 568.12169082 g/mol |
| Topological Polar Surface Area (TPSA) | 224.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
| 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 | 99.74% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.77% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.18% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.74% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 93.34% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.91% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.37% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.39% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.39% | 94.45% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 88.32% | 88.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.01% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.98% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.16% | 94.73% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.83% | 93.99% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.06% | 97.33% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.30% | 90.93% |
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.
| Fridericia samydoides |
| PubChem | 11433035 |
| LOTUS | LTS0219083 |
| wikiData | Q105111890 |