4-(3,7-Dimethylocta-2,6-dien-1-YL)-1,3,5-trihydroxy-9H-xanthen-9-one
| Internal ID | bed9f928-2c34-44d6-85b1-4c78ef6e8290 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones |
| IUPAC Name | 4-(3,7-dimethylocta-2,6-dienyl)-1,3,5-trihydroxyxanthen-9-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=CC=C3)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=CC=C3)O)C)C |
| InChI | InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19(26)20-21(27)16-8-5-9-17(24)22(16)28-23(15)20/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3 |
| InChI Key | PCKHKINJZFNYEO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O5 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 6.20 |
| DTXSID70822817 |
| 4-(3,7-DIMETHYLOCTA-2,6-DIEN-1-YL)-1,3,5-TRIHYDROXY-9H-XANTHEN-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 | 98.79% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.38% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.26% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.61% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.02% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.75% | 92.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.83% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.61% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.70% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.21% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.67% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.39% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.01% | 94.75% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.21% | 83.57% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.94% | 94.00% |
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 livingstonei |
| Montrouziera sphaeroidea |
| PubChem | 71401800 |
| LOTUS | LTS0079783 |
| wikiData | Q82805521 |