1,6-Dihydroxy-2,3,4-trimethoxy-8-methylxanthen-9-one
| Internal ID | 78fe8224-c56a-4c56-95dc-1ce572400320 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1,6-dihydroxy-2,3,4-trimethoxy-8-methylxanthen-9-one |
| SMILES (Canonical) | CC1=CC(=CC2=C1C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O |
| SMILES (Isomeric) | CC1=CC(=CC2=C1C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O |
| InChI | InChI=1S/C17H16O7/c1-7-5-8(18)6-9-10(7)12(19)11-13(20)15(21-2)17(23-4)16(22-3)14(11)24-9/h5-6,18,20H,1-4H3 |
| InChI Key | WCLGXYKABCIDCB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H16O7 |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 3.10 |
| 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 | 98.05% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.90% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.99% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.56% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.82% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.97% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 87.38% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.35% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.12% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.87% | 94.45% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.99% | 94.42% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.60% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 82.38% | 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.
| Drimiopsis maculata |
| PubChem | 11186597 |
| LOTUS | LTS0128056 |
| wikiData | Q105301861 |