1,3,7-trihydroxy-2-[(2R)-2-hydroxy-3-methylbut-3-enyl]xanthen-9-one
| Internal ID | 5d8fdfca-e2d6-4095-83ff-52d240b3decf |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 2-prenylated xanthones |
| IUPAC Name | 1,3,7-trihydroxy-2-[(2R)-2-hydroxy-3-methylbut-3-enyl]xanthen-9-one |
| SMILES (Canonical) | CC(=C)C(CC1=C(C2=C(C=C1O)OC3=C(C2=O)C=C(C=C3)O)O)O |
| SMILES (Isomeric) | CC(=C)[C@@H](CC1=C(C2=C(C=C1O)OC3=C(C2=O)C=C(C=C3)O)O)O |
| InChI | InChI=1S/C18H16O6/c1-8(2)12(20)6-10-13(21)7-15-16(17(10)22)18(23)11-5-9(19)3-4-14(11)24-15/h3-5,7,12,19-22H,1,6H2,2H3/t12-/m1/s1 |
| InChI Key | DEWSTXLUNINHTJ-GFCCVEGCSA-N |
| Popularity | 0 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 | 3.30 |
| There are no found synonyms. |
![2D Structure of 1,3,7-trihydroxy-2-[(2R)-2-hydroxy-3-methylbut-3-enyl]xanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/137-trihydroxy-2-2r-2-hydroxy-3-methylbut-3-enylxanthen-9-one.jpg "2D Structure of 1,3,7-trihydroxy-2-[(2R)-2-hydroxy-3-methylbut-3-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.71% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.71% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.81% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.55% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.46% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.06% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.27% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.68% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.01% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.65% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.29% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.31% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.66% | 99.15% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.23% | 93.10% |
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 monogynum |
| PubChem | 162910743 |
| LOTUS | LTS0079195 |
| wikiData | Q104977611 |