1-(3,7-Dimethylocta-2,6-dienyl)-3,6,8-trihydroxy-5-(4-hydroxy-3-methylbut-2-enyl)-2-methoxyxanthen-9-one
| Internal ID | 95359d4a-8ee7-4290-9529-1ad802d945f8 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 1-(3,7-dimethylocta-2,6-dienyl)-3,6,8-trihydroxy-5-(4-hydroxy-3-methylbut-2-enyl)-2-methoxyxanthen-9-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C(=C3O2)CC=C(C)CO)O)O)O)OC)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C(=C3O2)CC=C(C)CO)O)O)O)OC)C)C |
| InChI | InChI=1S/C29H34O7/c1-16(2)7-6-8-17(3)9-12-20-25-24(14-23(33)28(20)35-5)36-29-19(11-10-18(4)15-30)21(31)13-22(32)26(29)27(25)34/h7,9-10,13-14,30-33H,6,8,11-12,15H2,1-5H3 |
| InChI Key | OCKLFXKYZPPEFU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H34O7 |
| Molecular Weight | 494.60 g/mol |
| Exact Mass | 494.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 6.90 |
| 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 | 99.55% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.09% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.09% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.65% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.40% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.21% | 92.08% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.93% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.46% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.00% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.66% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.41% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.98% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.10% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.48% | 96.90% |
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 merguensis |
| PubChem | 5746004 |
| LOTUS | LTS0183266 |
| wikiData | Q105189420 |