1,3,5-Trihydroxy-6,7-dimethoxy-9h-xanthen-9-one
| Internal ID | d52c4fd1-55eb-4b5e-b219-e024f5cb53a9 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1,3,5-trihydroxy-6,7-dimethoxyxanthen-9-one |
| SMILES (Canonical) | COC1=C(C(=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O)OC |
| SMILES (Isomeric) | COC1=C(C(=C2C(=C1)C(=O)C3=C(C=C(C=C3O2)O)O)O)OC |
| InChI | InChI=1S/C15H12O7/c1-20-10-5-7-12(18)11-8(17)3-6(16)4-9(11)22-14(7)13(19)15(10)21-2/h3-5,16-17,19H,1-2H3 |
| InChI Key | XSTWGUHABMMDCN-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H12O7 |
| Molecular Weight | 304.25 g/mol |
| Exact Mass | 304.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 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 | 98.50% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.97% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.49% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.93% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 91.58% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.13% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.66% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.34% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.10% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.61% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.15% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.46% | 98.75% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.10% | 98.11% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.93% | 80.78% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.05% | 94.42% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.02% | 96.12% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.75% | 93.65% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.24% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.01% | 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.
| Cratoxylum cochinchinense |
| PubChem | 85922478 |
| LOTUS | LTS0034516 |
| wikiData | Q105341251 |