Xyl(b1-2)[Glc(b1-3)]Glc(b)-O-EtPh
| Internal ID | 135f054a-9515-40fc-85fc-0d0adcf1683f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-3-hydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | C1C(C(C(C(O1)OC2C(C(C(OC2OCCC3=CC=CC=C3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OCCC3=CC=CC=C3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
| InChI | InChI=1S/C25H38O15/c26-8-13-16(30)18(32)20(34)24(37-13)39-21-17(31)14(9-27)38-25(35-7-6-11-4-2-1-3-5-11)22(21)40-23-19(33)15(29)12(28)10-36-23/h1-5,12-34H,6-10H2/t12-,13-,14-,15+,16-,17-,18+,19-,20-,21+,22-,23+,24+,25-/m1/s1 |
| InChI Key | ZSWAYIHUFCSRTB-GTTZSOAFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O15 |
| Molecular Weight | 578.60 g/mol |
| Exact Mass | 578.22107050 g/mol |
| Topological Polar Surface Area (TPSA) | 237.00 Ų |
| XlogP | -3.20 |
| There are no found synonyms. |
![2D Structure of Xyl(b1-2)[Glc(b1-3)]Glc(b)-O-EtPh](https://plantaedb.com/storage/docs/compounds/2023/11/xylb1-2glcb1-3glcb-o-etph.jpg "2D Structure of Xyl(b1-2)[Glc(b1-3)]Glc(b)-O-EtPh")
| 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 | 97.46% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.52% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.68% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.92% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.63% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.62% | 86.33% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 86.34% | 94.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.93% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.48% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.36% | 99.17% |
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.
| Sesamum indicum |
| PubChem | 162865549 |
| LOTUS | LTS0104211 |
| wikiData | Q105382758 |