Semperoside A
| Internal ID | 111d7f9a-9414-4388-8996-b3726585a850 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | (1S,4S,6S,7R,10R,11S)-6-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one |
| SMILES (Canonical) | CC1CC2C3C1COC(C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | C[C@H]1C[C@H]2[C@H]3[C@@H]1CO[C@@H]([C@H]3C(=O)O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChI | InChI=1S/C16H24O9/c1-5-2-7-9-6(5)4-22-15(10(9)14(21)23-7)25-16-13(20)12(19)11(18)8(3-17)24-16/h5-13,15-20H,2-4H2,1H3/t5-,6+,7-,8+,9+,10+,11+,12-,13+,15+,16-/m0/s1 |
| InChI Key | QJSYMXRNPXIUJH-GCVHNHJPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H24O9 |
| Molecular Weight | 360.36 g/mol |
| Exact Mass | 360.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | -1.10 |
| (1S,4S,6S,7R,10R,11S)-6-Methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undecan-2-one |
| 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 | 94.65% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.39% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.34% | 97.25% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.00% | 86.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.03% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.30% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.15% | 89.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 83.51% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.62% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.98% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.89% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.16% | 95.93% |
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.
| Gelsemium sempervirens |
| PubChem | 11439812 |
| LOTUS | LTS0192659 |
| wikiData | Q105222863 |