1,3,6-Trihydroxy-8-(6,7-epoxy-3,7-dimethyl-2-octenyl)-7-methoxyxanthone
| Internal ID | 0ff37393-667f-4f5e-9ed7-6dfbdd8bba18 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 1-[5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-3,6,8-trihydroxy-2-methoxyxanthen-9-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)CCC4C(O4)(C)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)OC)CCC4C(O4)(C)C |
| InChI | InChI=1S/C24H26O7/c1-12(6-8-19-24(2,3)31-19)5-7-14-20-18(11-16(27)23(14)29-4)30-17-10-13(25)9-15(26)21(17)22(20)28/h5,9-11,19,25-27H,6-8H2,1-4H3 |
| InChI Key | DOPKCWJTPHSJML-UHFFFAOYSA-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) | 109.00 Ų |
| XlogP | 4.90 |
| 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 | 99.52% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.45% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.89% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.68% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.46% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.61% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.61% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.59% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.80% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.50% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.50% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 86.86% | 96.12% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.45% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 82.95% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.76% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.33% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.27% | 91.19% |
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 dioica |
| PubChem | 85260025 |
| LOTUS | LTS0102043 |
| wikiData | Q104986118 |