(3R)-3,8-dihydroxy-2,2,3-trimethyl-4H-pyrano[3,2-c]xanthen-7-one
| Internal ID | e24addbe-8f0a-4ed5-aa52-b517d1789d67 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | (3R)-3,8-dihydroxy-2,2,3-trimethyl-4H-pyrano[3,2-c]xanthen-7-one |
| SMILES (Canonical) | CC1(C(CC2=C(O1)C3=C(C=C2)C(=O)C4=C(C=CC=C4O3)O)(C)O)C |
| SMILES (Isomeric) | C[C@]1(CC2=C(C3=C(C=C2)C(=O)C4=C(C=CC=C4O3)O)OC1(C)C)O |
| InChI | InChI=1S/C19H18O5/c1-18(2)19(3,22)9-10-7-8-11-15(21)14-12(20)5-4-6-13(14)23-17(11)16(10)24-18/h4-8,20,22H,9H2,1-3H3/t19-/m1/s1 |
| InChI Key | YBFQUXKDDCJIKI-LJQANCHMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H18O5 |
| Molecular Weight | 326.30 g/mol |
| Exact Mass | 326.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 3.30 |
| (3R)-3,8-dihydroxy-2,2,3-trimethyl-4H-pyrano[3,2-c]xanthen-7-one |
![2D Structure of (3R)-3,8-dihydroxy-2,2,3-trimethyl-4H-pyrano[3,2-c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r-38-dihydroxy-223-trimethyl-4h-pyrano32-cxanthen-7-one.jpg "2D Structure of (3R)-3,8-dihydroxy-2,2,3-trimethyl-4H-pyrano[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 | 98.92% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.00% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.61% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.03% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.93% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.19% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.99% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.31% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.92% | 83.82% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.85% | 85.30% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.93% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.69% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.43% | 94.73% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.82% | 93.65% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.59% | 86.33% |
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.
| Calophyllum austroindicum |
| Calophyllum caledonicum |
| PubChem | 5464638 |
| LOTUS | LTS0208267 |
| wikiData | Q105345806 |