1,8-Dihydroxy-3,5,6,7-tetramethoxyxanthone
| Internal ID | a356adac-671a-4d19-9af0-48b602d60478 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1,8-dihydroxy-2,3,4,6-tetramethoxyxanthen-9-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC)O |
| InChI | InChI=1S/C17H16O8/c1-21-7-5-8(18)10-9(6-7)25-14-11(12(10)19)13(20)15(22-2)17(24-4)16(14)23-3/h5-6,18,20H,1-4H3 |
| InChI Key | PFIUFQOJAPBLTQ-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C17H16O8 |
| Molecular Weight | 348.30 g/mol |
| Exact Mass | 348.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 2.70 |
| 1,8-Dihydroxy-3,5,6,7-tetramethoxyxanthone |
| Demethyleustomin |
| 1,8-Dihydroxy-2,3,4,6-tetramethoxy-9H-xanthen-9-one |
| 9H-Xanthen-9-one, 1,8-dihydroxy-2,3,4,6-tetramethoxy- |
| Demethyl-eustomin |
| DTXSID201002980 |
| 1,8-dihydroxy-3,5,6,7-tetramethoxy-xanthone |
| 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 | 98.58% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.77% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.16% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.40% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.18% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.09% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.64% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.50% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.14% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.51% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.35% | 93.99% |
| CHEMBL3194 | P02766 | Transthyretin | 85.84% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.96% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.84% | 90.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.67% | 93.65% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.63% | 94.42% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.32% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.32% | 98.75% |
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.
| Centaurium erythraea |
| Centaurium littorale |
| Chironia krebsii |
| PubChem | 5487631 |
| LOTUS | LTS0015126 |
| wikiData | Q82997351 |