(3R)-3,6,8-trihydroxy-1,1,3,7-tetrakis(3-methylbut-2-enyl)xanthene-2,4,9-trione
| Internal ID | 587c78c2-83a4-47e8-b568-db2e81b8ea9e |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | (3R)-3,6,8-trihydroxy-1,1,3,7-tetrakis(3-methylbut-2-enyl)xanthene-2,4,9-trione |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(C(=O)C(C3=O)(CC=C(C)C)O)(CC=C(C)C)CC=C(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(C(=O)[C@@](C3=O)(CC=C(C)C)O)(CC=C(C)C)CC=C(C)C)O)C |
| InChI | InChI=1S/C33H40O7/c1-18(2)9-10-22-23(34)17-24-25(27(22)35)28(36)26-29(40-24)30(37)33(39,16-13-21(7)8)31(38)32(26,14-11-19(3)4)15-12-20(5)6/h9,11-13,17,34-35,39H,10,14-16H2,1-8H3/t33-/m0/s1 |
| InChI Key | YESGPFGMANPCDL-XIFFEERXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H40O7 |
| Molecular Weight | 548.70 g/mol |
| Exact Mass | 548.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 7.90 |
| 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 | 99.27% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.15% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.05% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.91% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.79% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.70% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.96% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.52% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.78% | 94.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.01% | 91.38% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.63% | 96.90% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.03% | 83.10% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.82% | 85.30% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.70% | 93.40% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.41% | 97.28% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.03% | 93.99% |
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 oligantha |
| PubChem | 162866712 |
| LOTUS | LTS0172747 |
| wikiData | Q105347383 |