Benzoylsalireposide
| Internal ID | de94f6d6-89ae-4eb8-9747-0586c7a028ea |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [2-[(2S,3R,4S,5R,6R)-4-benzoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyphenyl]methyl benzoate |
| SMILES (Canonical) | C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)OC(=O)C4=CC=CC=C4)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)C4=CC=CC=C4)O |
| InChI | InChI=1S/C27H26O10/c28-14-21-22(30)24(37-26(33)17-9-5-2-6-10-17)23(31)27(36-21)35-20-12-11-19(29)13-18(20)15-34-25(32)16-7-3-1-4-8-16/h1-13,21-24,27-31H,14-15H2/t21-,22-,23-,24+,27-/m1/s1 |
| InChI Key | FUEPBIYTRMHZFE-CWOLTGNZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H26O10 |
| Molecular Weight | 510.50 g/mol |
| Exact Mass | 510.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 3.00 |
| [2-[(2S,3R,4S,5R,6R)-4-benzoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyphenyl]methyl benzoate |
| 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 | 95.89% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.05% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.78% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.02% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.84% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.57% | 96.09% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 88.65% | 97.53% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.68% | 95.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.63% | 89.67% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.61% | 94.23% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.60% | 83.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 85.28% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.00% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.42% | 94.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.06% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 82.78% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.48% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.32% | 97.09% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.28% | 89.44% |
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.
| Symplocos racemosa |
| PubChem | 10369077 |
| LOTUS | LTS0193535 |
| wikiData | Q104399932 |