(1R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-1-(3-methylbut-2-enyl)xanthene-2,9-dione
| Internal ID | cf7aa86c-afe3-46f1-ae14-f2bac48c3b5b |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (1R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-1-(3-methylbut-2-enyl)xanthene-2,9-dione |
| SMILES (Canonical) | CC(=CCCC(=CCC1(C2=C(C=C(C1=O)O)OC3=CC(=CC(=C3C2=O)O)O)CC=C(C)C)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/C[C@@]1(C2=C(C=C(C1=O)O)OC3=CC(=CC(=C3C2=O)O)O)CC=C(C)C)/C)C |
| InChI | InChI=1S/C28H32O6/c1-16(2)7-6-8-18(5)10-12-28(11-9-17(3)4)25-23(15-21(31)27(28)33)34-22-14-19(29)13-20(30)24(22)26(25)32/h7,9-10,13-15,29-31H,6,8,11-12H2,1-5H3/b18-10+/t28-/m1/s1 |
| InChI Key | FZFFGBOPCQADGY-QXTIMZJGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H32O6 |
| Molecular Weight | 464.50 g/mol |
| Exact Mass | 464.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of (1R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-1-(3-methylbut-2-enyl)xanthene-2,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1r-1-2e-37-dimethylocta-26-dienyl-368-trihydroxy-1-3-methylbut-2-enylxanthene-29-dione.jpg "2D Structure of (1R)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxy-1-(3-methylbut-2-enyl)xanthene-2,9-dione")
| 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 | 99.10% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.41% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.14% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.66% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 93.07% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.59% | 89.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.87% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.92% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.38% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.11% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.44% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.13% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.77% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.29% | 93.10% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.09% | 91.38% |
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 multiflora |
| PubChem | 163064335 |
| LOTUS | LTS0053423 |
| wikiData | Q105004903 |