6,9-Dihydroxy-3,3-dimethyl-8-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one
| Internal ID | 7fbe094b-0108-41bf-bc29-c64080ae0217 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 6,9-dihydroxy-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)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1C(=O)C3=C(O2)C4=C(C=C3O)OC(C=C4)(C)C)O)C |
| InChI | InChI=1S/C23H22O5/c1-12(2)5-6-13-15(24)7-8-17-19(13)21(26)20-16(25)11-18-14(22(20)27-17)9-10-23(3,4)28-18/h5,7-11,24-25H,6H2,1-4H3 |
| InChI Key | WAFMSVUQOALWDN-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H22O5 |
| Molecular Weight | 378.40 g/mol |
| Exact Mass | 378.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 5.70 |
| BDBM50067591 |
![2D Structure of 6,9-Dihydroxy-3,3-dimethyl-8-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/69-dihydroxy-33-dimethyl-8-3-methylbut-2-enylpyrano23-cxanthen-7-one.jpg "2D Structure of 6,9-Dihydroxy-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 |
|---|---|---|---|---|---|
| CHEMBL2055 | P10276 | Retinoic acid receptor alpha |
110 nM |
EC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.81% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.23% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.16% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.41% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.19% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.66% | 89.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.28% | 85.30% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 90.03% | 91.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.97% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.88% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.03% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.69% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.12% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.87% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.71% | 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.
| Maclura cochinchinensis |
| Maclura tricuspidata |
| PubChem | 86276176 |
| LOTUS | LTS0075164 |
| wikiData | Q105300183 |