1-Hydroxy-3,6,7-trimethoxyxanthen-9-one
| Internal ID | 01e014ac-0832-4951-97e6-2d767f810578 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1-hydroxy-3,6,7-trimethoxyxanthen-9-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OC3=CC(=C(C=C3C2=O)OC)OC)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC3=CC(=C(C=C3C2=O)OC)OC)O |
| InChI | InChI=1S/C16H14O6/c1-19-8-4-10(17)15-14(5-8)22-11-7-13(21-3)12(20-2)6-9(11)16(15)18/h4-7,17H,1-3H3 |
| InChI Key | YBXGACGRJWDKHC-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C16H14O6 |
| Molecular Weight | 302.28 g/mol |
| Exact Mass | 302.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 3.10 |
| DTXSID001261885 |
| 1-Hydroxy-3,6,7-trimethoxyxanthone |
| CCG-231186 |
| 3,6,7-Trimethoxy-1-hydroxyxanthen-9-one |
| 1-hydroxy-3,6,7-trimethoxy-xanthen-9-one |
| 1-Hydroxy-3,6,7-trimethoxy-9H-xanthen-9-one |
| 2054-36-6 |
| 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 | 96.89% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.48% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.72% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.29% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.70% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.21% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.58% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.17% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.06% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.99% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.67% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.21% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.19% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 83.09% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.21% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.49% | 86.33% |
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.
| Maclura tricuspidata |
| Polygala tenuifolia |
| PubChem | 5318373 |
| NPASS | NPC116406 |
| LOTUS | LTS0006954 |
| wikiData | Q105346098 |