Bz(-4)Xyl(b1-2)Glc(b)-O-Bz
| Internal ID | 1f9dd2af-df6e-40b5-ae03-e2c31e39379e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | [(3R,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl] benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28O12/c26-11-15-17(27)19(29)21(25(35-15)37-23(32)14-9-5-2-6-10-14)36-24-20(30)18(28)16(12-33-24)34-22(31)13-7-3-1-4-8-13/h1-10,15-21,24-30H,11-12H2/t15-,16-,17-,18+,19+,20-,21-,24+,25+/m1/s1 |
| InChI Key | DTOGDRFAQQZHED-OEOPBYIYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H28O12 |
| Molecular Weight | 520.50 g/mol |
| Exact Mass | 520.15807632 g/mol |
| Topological Polar Surface Area (TPSA) | 181.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
| 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 | 96.35% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.71% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.96% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.44% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.32% | 86.33% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.64% | 83.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.40% | 99.17% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.71% | 94.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.82% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 84.65% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.59% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.12% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.93% | 89.00% |
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.
| Pteris ensiformis |
| PubChem | 162997602 |
| LOTUS | LTS0073458 |
| wikiData | Q104988909 |