1,6-Dihydroxy-2-(3-hydroxy-3-methylbutyl)-3,7-dimethoxy-8-(3-methylbut-2-enyl)xanthen-9-one
| Internal ID | 6242aec6-aa5d-498e-8f4c-fc756b83da64 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 1,6-dihydroxy-2-(3-hydroxy-3-methylbutyl)-3,7-dimethoxy-8-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H30O7/c1-13(2)7-8-15-20-18(11-16(26)24(15)31-6)32-19-12-17(30-5)14(9-10-25(3,4)29)22(27)21(19)23(20)28/h7,11-12,26-27,29H,8-10H2,1-6H3 |
| InChI Key | VBDCHHUTCPDCDY-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H30O7 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 5.20 |
| 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 | 99.43% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.29% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.38% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.22% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.44% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.34% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.04% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.92% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.09% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.55% | 96.95% |
| CHEMBL3194 | P02766 | Transthyretin | 84.78% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.30% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.17% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.81% | 95.56% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.77% | 96.90% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.57% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.56% | 89.50% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.78% | 96.12% |
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 formosum |
| PubChem | 16085297 |
| LOTUS | LTS0210153 |
| wikiData | Q105283174 |