1,4,8-Trihydroxy-2,3,6-trimethoxyxanthen-9-one
| Internal ID | c90d2359-7983-41b3-bed5-d26a876f3da3 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1,4,8-trihydroxy-2,3,6-trimethoxyxanthen-9-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)O)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)O)O |
| InChI | InChI=1S/C16H14O8/c1-21-6-4-7(17)9-8(5-6)24-14-10(11(9)18)12(19)15(22-2)16(23-3)13(14)20/h4-5,17,19-20H,1-3H3 |
| InChI Key | QAEDNOBQEIAWSV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O8 |
| Molecular Weight | 334.28 g/mol |
| Exact Mass | 334.06886740 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 2.40 |
| 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 | 98.88% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.01% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.55% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.31% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.48% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.38% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 88.09% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.73% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.29% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.96% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.51% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.19% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.38% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.24% | 94.42% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.83% | 94.73% |
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.
| Schenkia spicata |
| PubChem | 162991657 |
| LOTUS | LTS0152620 |
| wikiData | Q105217351 |