Glc(b1-2)[Xyl(b1-6)]Glc(b)-O-Ph(2-CH2OH)
| Internal ID | 11e33215-4a42-4e10-8fae-b4c687038d4b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[2-(hydroxymethyl)phenoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=CC=C3CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=CC=C3CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C24H36O16/c25-5-9-3-1-2-4-11(9)37-24-21(40-23-20(34)17(31)15(29)12(6-26)38-23)18(32)16(30)13(39-24)8-36-22-19(33)14(28)10(27)7-35-22/h1-4,10,12-34H,5-8H2/t10-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-/m1/s1 |
| InChI Key | GOPBSOBZHJQEJA-LAXBZTGHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O16 |
| Molecular Weight | 580.50 g/mol |
| Exact Mass | 580.20033506 g/mol |
| Topological Polar Surface Area (TPSA) | 258.00 Ų |
| XlogP | -4.80 |
| There are no found synonyms. |
![2D Structure of Glc(b1-2)[Xyl(b1-6)]Glc(b)-O-Ph(2-CH2OH)](https://plantaedb.com/storage/docs/compounds/2023/11/glcb1-2xylb1-6glcb-o-ph2-ch2oh.jpg "2D Structure of Glc(b1-2)[Xyl(b1-6)]Glc(b)-O-Ph(2-CH2OH)")
| 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 | 99.40% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.66% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.78% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.69% | 97.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.87% | 95.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.40% | 95.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.09% | 96.61% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.76% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.74% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.57% | 97.25% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.64% | 89.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.47% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.90% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.14% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.02% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.51% | 94.73% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.47% | 93.04% |
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.
| Alangium chinense |
| PubChem | 10907998 |
| LOTUS | LTS0085218 |
| wikiData | Q105014358 |