S-(+)-Skyrin-6-O-alpha-arabinofuranoside
| Internal ID | 08b5dc49-96a6-44c7-abee-3257d07c1954 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones |
| IUPAC Name | 2-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC4C(C(C(O4)CO)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)O[C@@H]4[C@H]([C@@H]([C@@H](O4)CO)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(37)5-10)32(45)24-17(40)7-16(39)23(27(24)29(12)42)26-19(48-35-34(47)31(44)20(9-36)49-35)8-18(41)25-28(26)30(43)13-4-11(2)6-15(38)22(13)33(25)46/h3-8,20,31,34-41,44,47H,9H2,1-2H3/t20-,31+,34-,35-/m0/s1 |
| InChI Key | PWDXNJBYCRETST-AZKXDWFLSA-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 | 4.00 |
| [1,1'-bianthracene]-9,9',10,10'-tetrone, 2,4,4',5,5'-pentahydroxy-7,7'-dimethyl-2'-(beta-L-xylofuranosyloxy)- |
| 2',4,4',5,5'-pentahydroxy-7,7'-dimethyl-9,9',10,10'-tetraoxo-9,9',10,10'-tetrahydro-1,1'-bianthracen-2-yl alpha-xylofuranoside |
| 2-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yloxy)-4,5,2',4',5'-pentahydroxy-7,7'-dimethyl-[1,1']bianthracenyl-9,10,9',10'-tetraone |
| InChI=1/C35H26O14/c1-10-3-12-21(14(37)5-10)32(45)24-17(40)7-16(39)23(27(24)29(12)42)26-19(48-35-34(47)31(44)20(9-36)49-35)8-18(41)25-28(26)30(43)13-4-11(2)6-15(38)22(13)33(25)46/h3-8,20,31,34-41,44,47H,9H2,1-2H3/t20-,31+,34-,35-/m0/s |
| 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 | 97.21% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.46% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.79% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.70% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.53% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.78% | 96.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.04% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.95% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.81% | 99.23% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.34% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.50% | 99.17% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.81% | 96.90% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.68% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.29% | 96.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.20% | 97.36% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.87% | 90.00% |
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 |
| PubChem | 637109 |
| LOTUS | LTS0078273 |
| wikiData | Q105215780 |