(R)-Skyrin 2-xyloside
| Internal ID | 957a09c3-fdf9-4508-b1d9-44c54ea900e1 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)-2-(3,4,5-trihydroxyoxan-2-yl)oxyanthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4C(C(C(CO4)O)O)O)C5=C6C(=C(C=C5O)O)C(=O)C7=C(C6=O)C=C(C=C7O)C |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4C(C(C(CO4)O)O)O)C5=C6C(=C(C=C5O)O)C(=O)C7=C(C6=O)C=C(C=C7O)C |
| InChI | InChI=1S/C35H26O14/c1-10-3-12-21(14(36)5-10)32(45)24-17(39)7-16(38)23(27(24)29(12)42)26-20(49-35-34(47)31(44)19(41)9-48-35)8-18(40)25-28(26)30(43)13-4-11(2)6-15(37)22(13)33(25)46/h3-8,19,31,34-41,44,47H,9H2,1-2H3 |
| InChI Key | RTWSMOOOURBUSZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H26O14 |
| Molecular Weight | 670.60 g/mol |
| Exact Mass | 670.13225550 g/mol |
| Topological Polar Surface Area (TPSA) | 249.00 Ų |
| XlogP | 3.40 |
| CHEBI:184879 |
| 2,4,4',5,5'-Pentahydroxy-7,7'-dimethyl-2'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9H,9'H,10H,10'H-[1,1'-bianthracene]-9,9',10,10'-tetrone |
| 4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)-2-(3,4,5-trihydroxyoxan-2-yl)oxyanthracene-9,10-dione |
| 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 | 97.66% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.58% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.05% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.54% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.82% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.71% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.14% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.53% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.53% | 91.49% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.16% | 96.21% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.78% | 92.94% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.90% | 96.77% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.73% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.40% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.39% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.00% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.72% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.02% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.50% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.14% | 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.
| Hypericum perforatum |
| Hypericum sampsonii |
| Phlomoides tuberosa |
| PubChem | 73804165 |
| LOTUS | LTS0177128 |
| wikiData | Q105131226 |