methyl (4R,4aS)-4-(acetyloxy)-8-hydroxy-6-methyl-9-oxo-4,9-dihydro-4aH-xanthene-4a-carboxylate
| Internal ID | 85cadb26-c9db-4d60-9cb2-a645a03bca80 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | methyl (4R,4aS)-4-acetyloxy-8-hydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H16O7/c1-9-7-12(20)15-13(8-9)25-18(17(22)23-3)11(16(15)21)5-4-6-14(18)24-10(2)19/h4-8,14,20H,1-3H3/t14-,18+/m1/s1 |
| InChI Key | OOXFQLGEGVNXBG-KDOFPFPSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H16O7 |
| Molecular Weight | 344.30 g/mol |
| Exact Mass | 344.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 2.60 |
| methyl (4R,4aS)-4-(acetyloxy)-8-hydroxy-6-methyl-9-oxo-4,9-dihydro-4aH-xanthene-4a-carboxylate |
| CHEBI:65893 |
| F-390-B |
| Q27134385 |
| methyl (4R,4aS)-4-acetyloxy-8-hydroxy-6-methyl-9-oxo-4H-xanthene-4a-carboxylate |
| 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 | 98.75% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.88% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.06% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.69% | 85.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.19% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.55% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.56% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.56% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.29% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.02% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.97% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.22% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.72% | 89.00% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 85.41% | 98.44% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.80% | 90.93% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.04% | 94.42% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.06% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.44% | 91.07% |
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.
| There are no matching plants. |
| PubChem | 10405210 |
| LOTUS | LTS0074851 |
| wikiData | Q27134385 |