1,3,5-Trihydroxy-2-methoxy-4-(3-methylbut-2-enyl)xanthen-9-one
| Internal ID | 5fffbe94-08e7-4794-8bfa-069e41b7217d |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones |
| IUPAC Name | 1,3,5-trihydroxy-2-methoxy-4-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H18O6/c1-9(2)7-8-11-15(22)19(24-3)16(23)13-14(21)10-5-4-6-12(20)17(10)25-18(11)13/h4-7,20,22-23H,8H2,1-3H3 |
| InChI Key | NDHWWMCGDXLCHL-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H18O6 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 4.30 |
| 1,3,5-trihydroxy-2-methoxy-4-(3-methylbut-2-enyl)xanthen-9-one |
| 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 | 98.87% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.02% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.97% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.94% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.88% | 94.73% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.37% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.61% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.49% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.95% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.59% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.98% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.99% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.81% | 99.17% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 81.77% | 98.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.26% | 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 caledonicum |
| PubChem | 5464633 |
| LOTUS | LTS0083736 |
| wikiData | Q105177556 |