9H-Xanthen-9-one, 1,3,5,6-tetrahydroxy-2-(3-methyl-2-butenyl)-
| Internal ID | db819473-5d7e-4a13-a551-3f738f3e66dd |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 2-prenylated xanthones |
| IUPAC Name | 1,3,5,6-tetrahydroxy-2-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC(=C3O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC(=C3O)O)O)C |
| InChI | InChI=1S/C18H16O6/c1-8(2)3-4-9-12(20)7-13-14(15(9)21)16(22)10-5-6-11(19)17(23)18(10)24-13/h3,5-7,19-21,23H,4H2,1-2H3 |
| InChI Key | NPQLJYVRPMRCAL-UHFFFAOYSA-N |
| Popularity | 17 references in papers |
| Molecular Formula | C18H16O6 |
| Molecular Weight | 328.30 g/mol |
| Exact Mass | 328.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 4.00 |
| 9H-Xanthen-9-one, 1,3,5,6-tetrahydroxy-2-(3-methyl-2-butenyl)- |
| CHEMBL3422285 |
| SCHEMBL24075573 |
| DTXSID80439410 |
| 2-(3,3-dimethylallyl)-1,3,5,6-tetrahydroxyxanthone |
| 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 | 99.56% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.69% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.77% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.61% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.50% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.05% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.71% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.50% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.21% | 86.33% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 86.38% | 98.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.06% | 94.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.58% | 85.30% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.63% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.46% | 93.99% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.29% | 91.38% |
| CHEMBL3194 | P02766 | Transthyretin | 82.18% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.47% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.17% | 99.23% |
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 brasiliense |
| Garcinia buchananii |
| Garcinia dulcis |
| Hypericum androsaemum |
| Hypericum sampsonii |
| PubChem | 10404212 |
| LOTUS | LTS0049785 |
| wikiData | Q82255362 |