Rhein 8-Glucoside
| Internal ID | 803b9a09-5685-4891-b090-c7ec0570cde9 |
| Taxonomy | Benzenoids > Anthracenes > Anthracenecarboxylic acids and derivatives > Anthracenecarboxylic acids |
| IUPAC Name | 4-hydroxy-9,10-dioxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-2-carboxylic acid |
| SMILES (Canonical) | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)C(=O)O |
| SMILES (Isomeric) | C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2=O)C=C(C=C4O)C(=O)O |
| InChI | InChI=1S/C21H18O11/c22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23/h1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30) |
| InChI Key | WYKUTTFFZMQCGO-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H18O11 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.08491139 g/mol |
| Topological Polar Surface Area (TPSA) | 191.00 Ų |
| XlogP | 0.40 |
| Rhein 8-Glucoside |
| 4-Hydroxy-9,10-dioxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-2-carboxylic acid |
| Rhein 8-O-beta-D-Glucopyranoside |
| FT-0775617 |
| E80567 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.37% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.73% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.27% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.84% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.60% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.53% | 99.23% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 89.05% | 95.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.64% | 96.21% |
| CHEMBL3194 | P02766 | Transthyretin | 88.24% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.88% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.49% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.67% | 91.49% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.55% | 95.93% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.43% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.00% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.53% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.30% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.22% | 98.75% |
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.
| Rheum palmatum |
| Senna alexandrina |
| PubChem | 14345558 |
| LOTUS | LTS0168275 |
| wikiData | Q104390937 |