(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
| Internal ID | 1000c94d-2e99-49ab-b08f-1c63636ddb8c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | C1C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)O)(CO)O |
| SMILES (Isomeric) | C1[C@@]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC=C(C=C3)O)O)O)O)O)(CO)O |
| InChI | InChI=1S/C19H28O11/c20-8-19(26)9-29-18(16(19)25)28-7-12-13(22)14(23)15(24)17(30-12)27-6-5-10-1-3-11(21)4-2-10/h1-4,12-18,20-26H,5-9H2/t12-,13-,14+,15-,16+,17-,18+,19-/m1/s1 |
| InChI Key | IVRQZYXJBVMHCW-DERWZFJFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H28O11 |
| Molecular Weight | 432.40 g/mol |
| Exact Mass | 432.16316171 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | -2.20 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/47cb8040-85b2-11ee-9a09-316730b17f08.jpg "2D Structure of (2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-hydroxyphenyl)ethoxy]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.68% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.62% | 94.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.15% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.28% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.12% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.34% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.09% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.49% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.87% | 86.92% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.67% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.52% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.16% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.64% | 95.89% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 83.39% | 94.97% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.36% | 96.95% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.65% | 94.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.66% | 92.94% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.55% | 98.35% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.49% | 85.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.14% | 94.00% |
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.
| Miliusa balansae |
| PubChem | 101845626 |
| LOTUS | LTS0182820 |
| wikiData | Q105121249 |