3,6,8-trihydroxy-1-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2-methoxyxanthen-9-one
| Internal ID | ca17ad06-baad-4de0-a16a-72edf72dedf8 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 3,6,8-trihydroxy-1-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2-methoxyxanthen-9-one |
| SMILES (Canonical) | CC(=C)C(CCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)C)O |
| SMILES (Isomeric) | CC(=C)[C@@H](CC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)/C)O |
| InChI | InChI=1S/C24H26O7/c1-12(2)16(26)8-6-13(3)5-7-15-21-20(11-18(28)24(15)30-4)31-19-10-14(25)9-17(27)22(19)23(21)29/h5,9-11,16,25-28H,1,6-8H2,2-4H3/b13-5+/t16-/m1/s1 |
| InChI Key | PNSUKASXPDTEFK-ZUFYJRLNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H26O7 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 3,6,8-trihydroxy-1-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2-methoxyxanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/368-trihydroxy-1-2e6r-6-hydroxy-37-dimethylocta-27-dienyl-2-methoxyxanthen-9-one.jpg "2D Structure of 3,6,8-trihydroxy-1-[(2E,6R)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-2-methoxyxanthen-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 | 99.21% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.45% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.12% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.68% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.23% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 93.06% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.74% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.30% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.83% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.08% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 84.24% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.39% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.74% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.72% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.39% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.71% | 98.75% |
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 parvifolia |
| PubChem | 163185635 |
| LOTUS | LTS0224316 |
| wikiData | Q105212161 |