1,3,6-Trihydroxy-5-methoxy-2-prenylxanthone
| Internal ID | 913f7659-a2da-4437-b1e0-c418eec32580 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 2-prenylated xanthones |
| IUPAC Name | 1,3,6-trihydroxy-5-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC(=C3OC)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC(=C3OC)O)O)C |
| InChI | InChI=1S/C19H18O6/c1-9(2)4-5-10-13(21)8-14-15(16(10)22)17(23)11-6-7-12(20)19(24-3)18(11)25-14/h4,6-8,20-22H,5H2,1-3H3 |
| InChI Key | HYBKBBVYRCBCKS-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 |
| 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 | 99.71% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.22% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.91% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.09% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.81% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.99% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.84% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.82% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.01% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.79% | 93.99% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.55% | 89.34% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.62% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.14% | 99.17% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.81% | 98.11% |
| CHEMBL3194 | P02766 | Transthyretin | 83.76% | 90.71% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.87% | 85.30% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.24% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.91% | 99.23% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.01% | 80.78% |
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.
| Hypericum patulum |
| Morus insignis |
| PubChem | 14886043 |
| LOTUS | LTS0193861 |
| wikiData | Q104403658 |