4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,7-trihydroxyxanthen-9-one
Internal ID | d3ea99cb-26ae-40c3-aa67-3b20ed11e838 |
Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 4-prenylated xanthones |
IUPAC Name | 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,7-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(=CCC/C(=C/CC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C=CC(=C3)O)/C)C |
InChI | InChI=1S/C23H24O5/c1-13(2)5-4-6-14(3)7-9-16-18(25)12-19(26)21-22(27)17-11-15(24)8-10-20(17)28-23(16)21/h5,7-8,10-12,24-26H,4,6,9H2,1-3H3/b14-7+ |
InChI Key | SNAUUYAKECLQLL-VGOFMYFVSA-N |
Popularity | 1 reference 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 |
There are no found synonyms. |
![2D Structure of 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,7-trihydroxyxanthen-9-one 2D Structure of 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,7-trihydroxyxanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-2e-37-dimethylocta-26-dienyl-137-trihydroxyxanthen-9-one.jpg)
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 | 99.25% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.10% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 95.77% | 94.73% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.57% | 94.45% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 94.78% | 91.49% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.88% | 92.08% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.64% | 89.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.62% | 99.23% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.53% | 95.56% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.45% | 93.10% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.67% | 99.17% |
CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.24% | 91.38% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.83% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.46% | 86.33% |
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.
Cratoxylum cochinchinense |
Garcinia fusca |
PubChem | 21626041 |
LOTUS | LTS0126511 |
wikiData | Q105256293 |