1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-7-(3-hydroxy-3-methylbutyl)-2-methoxyxanthen-9-one
| Internal ID | b6bda8fa-315a-4eb8-9d13-58b60e4b9d3e |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-7-(3-hydroxy-3-methylbutyl)-2-methoxyxanthen-9-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)/C)C |
| InChI | InChI=1S/C29H36O7/c1-16(2)8-7-9-17(3)10-11-19-24-22(15-21(31)28(19)35-6)36-23-14-20(30)18(12-13-29(4,5)34)26(32)25(23)27(24)33/h8,10,14-15,30-32,34H,7,9,11-13H2,1-6H3/b17-10+ |
| InChI Key | RJQKCIQZFYHTRJ-LICLKQGHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H36O7 |
| Molecular Weight | 496.60 g/mol |
| Exact Mass | 496.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-7-(3-hydroxy-3-methylbutyl)-2-methoxyxanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/65ae1440-8294-11ee-abfb-498bc77937f0.jpg "2D Structure of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-7-(3-hydroxy-3-methylbutyl)-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 | 99.61% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.97% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.77% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.28% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.16% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.45% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.14% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.76% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.96% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.66% | 96.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 87.13% | 92.68% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.18% | 92.08% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.95% | 96.90% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.99% | 95.56% |
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 fusca |
| PubChem | 11827150 |
| LOTUS | LTS0096269 |
| wikiData | Q105237701 |