1-Hydroxy-3,6,7-trimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone
| Internal ID | 21849a26-54ce-4fe4-bfc5-7633bf4aa9d0 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 1-hydroxy-2-(2-hydroxy-3-methylbut-3-enyl)-3,6,7-trimethoxy-8-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=CC(=C1OC)OC)OC3=CC(=C(C(=C3C2=O)O)CC(C(=C)C)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=CC(=C1OC)OC)OC3=CC(=C(C(=C3C2=O)O)CC(C(=C)C)O)OC)C |
| InChI | InChI=1S/C26H30O7/c1-13(2)8-9-15-22-19(12-21(31-6)26(15)32-7)33-20-11-18(30-5)16(10-17(27)14(3)4)24(28)23(20)25(22)29/h8,11-12,17,27-28H,3,9-10H2,1-2,4-7H3 |
| InChI Key | ZIXGZQVFRYTLJJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H30O7 |
| Molecular Weight | 454.50 g/mol |
| Exact Mass | 454.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 5.90 |
| CHEBI:175623 |
| 1-hydroxy-2-(2-hydroxy-3-methylbut-3-enyl)-3,6,7-trimethoxy-8-(3-methylbut-2-enyl)-xanthone |
| 1-hydroxy-2-(2-hydroxy-3-methylbut-3-enyl)-3,6,7-trimethoxy-8-(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 | 98.80% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.86% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.73% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.15% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.83% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.05% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.01% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.81% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.79% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.58% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.28% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.66% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.79% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.79% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.64% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.12% | 89.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.94% | 95.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.34% | 83.82% |
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.
| Garcinia mangostana |
| PubChem | 101193828 |
| LOTUS | LTS0127853 |
| wikiData | Q105377645 |