3,4,8,11-Tetrahydroxy-2,2-dimethyl-9-(2-methylbut-3-en-2-yl)-3,4-dihydropyrano[3,2-c]xanthen-7-one
| Internal ID | fc93d7ee-b455-49ba-834c-5b7d9e2eb62a |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | 3,4,8,11-tetrahydroxy-2,2-dimethyl-9-(2-methylbut-3-en-2-yl)-3,4-dihydropyrano[3,2-c]xanthen-7-one |
| SMILES (Canonical) | CC1(C(C(C2=C(O1)C3=C(C=C2)C(=O)C4=C(C(=CC(=C4O3)O)C(C)(C)C=C)O)O)O)C |
| SMILES (Isomeric) | CC1(C(C(C2=C(O1)C3=C(C=C2)C(=O)C4=C(C(=CC(=C4O3)O)C(C)(C)C=C)O)O)O)C |
| InChI | InChI=1S/C23H24O7/c1-6-22(2,3)12-9-13(24)20-14(17(12)27)15(25)10-7-8-11-16(26)21(28)23(4,5)30-19(11)18(10)29-20/h6-9,16,21,24,26-28H,1H2,2-5H3 |
| InChI Key | CKSZVVYEZUCUBU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O7 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 3,4,8,11-Tetrahydroxy-2,2-dimethyl-9-(2-methylbut-3-en-2-yl)-3,4-dihydropyrano[3,2-c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/34811-tetrahydroxy-22-dimethyl-9-2-methylbut-3-en-2-yl-34-dihydropyrano32-cxanthen-7-one.jpg "2D Structure of 3,4,8,11-Tetrahydroxy-2,2-dimethyl-9-(2-methylbut-3-en-2-yl)-3,4-dihydropyrano[3,2-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 | 99.59% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.77% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.03% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.93% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.41% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.21% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.03% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.74% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.47% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.09% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.75% | 93.99% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.33% | 90.93% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 86.07% | 96.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.70% | 94.75% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.42% | 97.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.62% | 92.94% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.98% | 97.05% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.96% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.33% | 89.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.18% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.26% | 100.00% |
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 gerrardii |
| PubChem | 14393754 |
| LOTUS | LTS0260346 |
| wikiData | Q104962758 |