(2S,3R,4S,5S,6R)-2-[(2R,3R,4R)-4-hydroxy-4-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 20db4086-eb87-4cc5-bced-3c5c74928e73 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4R)-4-hydroxy-4-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H38O15/c26-8-13-15(28)17(30)20(33)23(38-13)40-21-24(37-11-25(21,34)10-27)36-9-14-16(29)18(31)19(32)22(39-14)35-7-6-12-4-2-1-3-5-12/h1-5,13-24,26-34H,6-11H2/t13-,14-,15-,16-,17+,18+,19-,20-,21+,22-,23+,24-,25-/m1/s1 |
| InChI Key | HGQVHABUPAMWDC-AIRFNKJSSA-N |
| Popularity | 2 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 | -4.00 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S,5S,6R)-2-[(2R,3R,4R)-4-hydroxy-4-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/5dbb2bb0-874b-11ee-9e20-df6389a3526f.jpg "2D Structure of (2S,3R,4S,5S,6R)-2-[(2R,3R,4R)-4-hydroxy-4-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 99.08% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.60% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.36% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.28% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.43% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.25% | 97.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 90.73% | 94.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.36% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.16% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.58% | 97.25% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.30% | 94.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.71% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.16% | 94.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.67% | 93.81% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.47% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.47% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.02% | 94.45% |
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.
| Bupleurum falcatum |
| PubChem | 100983065 |
| LOTUS | LTS0070766 |
| wikiData | Q105027926 |