6-(2,3-Dihydroxy-3-methylbutyl)-1,5-dihydroxyxanthen-9-one
| Internal ID | c3443c78-7a95-4ac0-b7c1-f93d3a4c318c |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 6-(2,3-dihydroxy-3-methylbutyl)-1,5-dihydroxyxanthen-9-one |
| SMILES (Canonical) | CC(C)(C(CC1=C(C2=C(C=C1)C(=O)C3=C(C=CC=C3O2)O)O)O)O |
| SMILES (Isomeric) | CC(C)(C(CC1=C(C2=C(C=C1)C(=O)C3=C(C=CC=C3O2)O)O)O)O |
| InChI | InChI=1S/C18H18O6/c1-18(2,23)13(20)8-9-6-7-10-16(22)14-11(19)4-3-5-12(14)24-17(10)15(9)21/h3-7,13,19-21,23H,8H2,1-2H3 |
| InChI Key | INRXCBYPXAPEDL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.30 g/mol |
| Exact Mass | 330.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.04% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.52% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.16% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.97% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.67% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.79% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.71% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.39% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.33% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.34% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.50% | 89.34% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.29% | 90.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.13% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.92% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.53% | 85.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.23% | 93.65% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.00% | 99.15% |
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.
| Calophyllum austroindicum |
| PubChem | 85700963 |
| LOTUS | LTS0134282 |
| wikiData | Q105116368 |