(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4-diol
| Internal ID | 81022de8-21a1-41e3-868e-4df3c411a184 |
| 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-(4-hydroxyphenoxy)oxane-3,4-diol |
| SMILES (Canonical) | C1C(C(C(O1)OC2C(C(C(OC2OC3=CC=C(C=C3)O)CO)O)O)O)(CO)O |
| SMILES (Isomeric) | C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC=C(C=C3)O)CO)O)O)O)(CO)O |
| InChI | InChI=1S/C17H24O11/c18-5-10-11(21)12(22)13(28-16-14(23)17(24,6-19)7-25-16)15(27-10)26-9-3-1-8(20)2-4-9/h1-4,10-16,18-24H,5-7H2/t10-,11-,12+,13-,14+,15-,16+,17-/m1/s1 |
| InChI Key | SEZVUDWLTCREHG-FVVNKADVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O11 |
| Molecular Weight | 404.40 g/mol |
| Exact Mass | 404.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | -1.80 |
| 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-(4-hydroxyphenoxy)oxane-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1db4ff30-86d6-11ee-91b4-a9bdecb3c54f.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-(4-hydroxyphenoxy)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 | 98.97% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 98.54% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.27% | 97.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.38% | 98.35% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.48% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.86% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.49% | 94.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 87.39% | 94.97% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.44% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.51% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.65% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.13% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.08% | 89.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.58% | 85.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.05% | 94.23% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.74% | 97.36% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.35% | 93.10% |
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.
| Eriosema tuberosum |
| Myrsine seguinii |
| PubChem | 10668916 |
| LOTUS | LTS0130943 |
| wikiData | Q105251633 |