(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4-diol
| Internal ID | 24dcbaa4-1627-4d03-9408-52716bcfa872 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H26O11/c1-8-2-9(21)4-10(3-8)27-16-14(13(23)12(22)11(5-19)28-16)29-17-15(24)18(25,6-20)7-26-17/h2-4,11-17,19-25H,5-7H2,1H3/t11-,12-,13+,14-,15+,16-,17+,18-/m1/s1 |
| InChI Key | DXWKSZVPTMMDPT-WKTYNKDSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H26O11 |
| Molecular Weight | 418.40 g/mol |
| Exact Mass | 418.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | -1.50 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/d8f9d220-86db-11ee-9e3b-fd4ffb585b26.jpg "2D Structure of (2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4-diol")
| 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 | 98.87% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 97.20% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.63% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.38% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.05% | 94.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.32% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.93% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.31% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.10% | 89.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 88.98% | 93.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.64% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.32% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.13% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.03% | 90.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.09% | 80.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.59% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.00% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.99% | 91.49% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.69% | 91.07% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.40% | 94.45% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.65% | 92.68% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.28% | 86.92% |
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.
| Curculigo orchioides |
| PubChem | 162965834 |
| LOTUS | LTS0070245 |
| wikiData | Q104991230 |