6,9,10-Trihydroxy-3,3-dimethyl-8-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one
| Internal ID | 8181857d-bc8d-46a4-8272-a5c969ed02ac |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 6,9,10-trihydroxy-3,3-dimethyl-8-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C4=C(C=C3O)OC(C=C4)(C)C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C4=C(C=C3O)OC(C=C4)(C)C)O)O)C |
| InChI | InChI=1S/C23H22O6/c1-11(2)5-6-13-18-17(10-15(25)20(13)26)28-22-12-7-8-23(3,4)29-16(12)9-14(24)19(22)21(18)27/h5,7-10,24-26H,6H2,1-4H3 |
| InChI Key | BQNZDKWHGWGLMT-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H22O6 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 6,9,10-Trihydroxy-3,3-dimethyl-8-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/6910-trihydroxy-33-dimethyl-8-3-methylbut-2-enylpyrano23-cxanthen-7-one.jpg "2D Structure of 6,9,10-Trihydroxy-3,3-dimethyl-8-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-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 | 99.85% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.36% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.90% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.48% | 94.73% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 92.22% | 91.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.03% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.17% | 89.34% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.13% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.53% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.77% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.23% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.01% | 99.23% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.98% | 95.71% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.81% | 80.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.30% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.03% | 94.42% |
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.
| Terminalia calcicola |
| PubChem | 16216541 |
| LOTUS | LTS0114603 |
| wikiData | Q104944457 |