3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,7-dihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
| Internal ID | 952d00a2-23e7-48f4-badd-dd119fcc2a93 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 2-prenylated xanthones |
| IUPAC Name | 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,7-dihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one |
| SMILES (Canonical) | CC(=CCCC(=CCOC1=C(C(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O)CC=C(C)C)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/COC1=C(C(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O)CC=C(C)C)/C)C |
| InChI | InChI=1S/C28H32O5/c1-17(2)7-6-8-19(5)13-14-32-24-16-25-26(27(30)21(24)11-9-18(3)4)28(31)22-15-20(29)10-12-23(22)33-25/h7,9-10,12-13,15-16,29-30H,6,8,11,14H2,1-5H3/b19-13+ |
| InChI Key | LDJAEMRUKSAODL-CPNJWEJPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H32O5 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 8.10 |
| BDBM50454319 |
![2D Structure of 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,7-dihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-2e-37-dimethylocta-26-dienoxy-17-dihydroxy-2-3-methylbut-2-enylxanthen-9-one.jpg "2D Structure of 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,7-dihydroxy-2-(3-methylbut-2-enyl)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 | 98.51% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.53% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.43% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.47% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.78% | 89.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 93.53% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.42% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.78% | 92.08% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.52% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.95% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.90% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.92% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.49% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.38% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.39% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.06% | 90.71% |
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 formosum |
| PubChem | 51042112 |
| LOTUS | LTS0125570 |
| wikiData | Q105150235 |