2,6,8-trihydroxy-1-[(2R)-2-hydroxy-3-methylbut-3-enyl]xanthen-9-one
| Internal ID | d7f4e489-9003-4e91-b6f9-4ab3d3aee9c5 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 2,6,8-trihydroxy-1-[(2R)-2-hydroxy-3-methylbut-3-enyl]xanthen-9-one |
| SMILES (Canonical) | CC(=C)C(CC1=C(C=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| SMILES (Isomeric) | CC(=C)[C@@H](CC1=C(C=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| InChI | InChI=1S/C18H16O6/c1-8(2)12(21)7-10-11(20)3-4-14-16(10)18(23)17-13(22)5-9(19)6-15(17)24-14/h3-6,12,19-22H,1,7H2,2H3/t12-/m1/s1 |
| InChI Key | YBIZIJLYKSWSGG-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H16O6 |
| Molecular Weight | 328.30 g/mol |
| Exact Mass | 328.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 2,6,8-trihydroxy-1-[(2R)-2-hydroxy-3-methylbut-3-enyl]xanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/268-trihydroxy-1-2r-2-hydroxy-3-methylbut-3-enylxanthen-9-one.jpg "2D Structure of 2,6,8-trihydroxy-1-[(2R)-2-hydroxy-3-methylbut-3-enyl]xanthen-9-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 | 98.30% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.86% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.54% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.44% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.64% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.30% | 83.82% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.51% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.28% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.51% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.48% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.29% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.04% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.03% | 94.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.53% | 93.65% |
| CHEMBL3194 | P02766 | Transthyretin | 81.26% | 90.71% |
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.
| Hypericum scabrum |
| PubChem | 162936267 |
| LOTUS | LTS0101926 |
| wikiData | Q105345866 |