[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 8e640660-08e9-4863-8b22-8eae433a9a2f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H24O13/c29-12-4-1-11(2-5-12)3-6-20(33)39-10-19-24(35)26(37)27(38)28(41-19)21-16(32)9-18-22(25(21)36)23(34)13-7-14(30)15(31)8-17(13)40-18/h1-9,19,24,26-32,35-38H,10H2/b6-3+/t19-,24-,26+,27-,28+/m1/s1 |
| InChI Key | LXKAQLICMWHHHN-QHVSNWRPSA-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 | 1.40 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/40a58c20-8637-11ee-a03f-ad51a3216c9e.jpg "2D Structure of [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate")
| 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% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.98% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.00% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.41% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.23% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 92.99% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.96% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.51% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.79% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.46% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.91% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.39% | 97.09% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 86.25% | 85.31% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.36% | 89.62% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 83.97% | 88.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.09% | 90.93% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.06% | 93.99% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.86% | 83.82% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.73% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.30% | 99.23% |
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 patellifera |
| PubChem | 25156147 |
| LOTUS | LTS0093965 |
| wikiData | Q105158893 |