1H,11H-Pyrano(3,4-b)xanthene-10-carboxylic acid, 8-(beta-D-glucopyranosyloxy)-12-hydroxy-3-methyl-1,11-dioxo-
| Internal ID | 726230b8-c276-4f19-a134-71f7c72f4a94 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 12-hydroxy-3-methyl-1,11-dioxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyisochromeno[6,7-b]chromene-10-carboxylic acid |
| SMILES (Canonical) | CC1=CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C4=C(C=C(C=C4O3)OC5C(C(C(C(O5)CO)O)O)O)C(=O)O |
| SMILES (Isomeric) | CC1=CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C4=C(C=C(C=C4O3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C(=O)O |
| InChI | InChI=1S/C24H20O13/c1-7-2-8-3-11-16(18(27)14(8)23(33)34-7)19(28)15-10(22(31)32)4-9(5-12(15)36-11)35-24-21(30)20(29)17(26)13(6-25)37-24/h2-5,13,17,20-21,24-27,29-30H,6H2,1H3,(H,31,32)/t13-,17-,20+,21-,24-/m1/s1 |
| InChI Key | MAHSOAIUQXFKFU-VLHLJYTGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H20O13 |
| Molecular Weight | 516.40 g/mol |
| Exact Mass | 516.09039069 g/mol |
| Topological Polar Surface Area (TPSA) | 210.00 Ų |
| XlogP | 0.90 |
| 82850-45-1 |
| DTXSID10232032 |
| 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 | 97.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.91% | 98.95% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 93.98% | 94.42% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.78% | 94.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.44% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.27% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.37% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.23% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.76% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.20% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.78% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.13% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.88% | 93.00% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 85.53% | 95.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.78% | 89.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.64% | 81.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.29% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.16% | 95.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.84% | 99.15% |
| CHEMBL5847 | P52895 | Aldo-keto reductase family 1 member C2 | 81.03% | 92.50% |
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.
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| There are no matching plants. |
| PubChem | 5488731 |
| LOTUS | LTS0080226 |
| wikiData | Q83113066 |