4-(3,7-Dimethylocta-2,6-dienyl)-1,5,6-trihydroxy-3-methoxy-8-(3-methylbut-2-enyl)xanthen-9-one
| Internal ID | 26832da6-1ceb-4efa-a6bc-c14524ae6c2e |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 4-(3,7-dimethylocta-2,6-dienyl)-1,5,6-trihydroxy-3-methoxy-8-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C(=CC(=C3O)O)CC=C(C)C)O)OC)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C=C(C2=C1OC3=C(C2=O)C(=CC(=C3O)O)CC=C(C)C)O)OC)C)C |
| InChI | InChI=1S/C29H34O6/c1-16(2)8-7-9-18(5)11-13-20-23(34-6)15-21(30)25-27(33)24-19(12-10-17(3)4)14-22(31)26(32)29(24)35-28(20)25/h8,10-11,14-15,30-32H,7,9,12-13H2,1-6H3 |
| InChI Key | OXPFVHBUHXXECD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H34O6 |
| Molecular Weight | 478.60 g/mol |
| Exact Mass | 478.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 8.10 |
| 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 | 99.74% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.99% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.41% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.39% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.22% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.88% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.88% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.23% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.57% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.65% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.97% | 85.14% |
| CHEMBL3194 | P02766 | Transthyretin | 86.16% | 90.71% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.50% | 92.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.08% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.05% | 93.99% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.00% | 98.11% |
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 oblongifolia |
| PubChem | 74429721 |
| LOTUS | LTS0213489 |
| wikiData | Q105202845 |