(2S,3R,4S,5S,6R)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
| Internal ID | 17f47e64-2cf7-43db-a6ca-9a9d7a63666e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H28O12/c1-27-11-4-8(5-20)2-3-10(11)30-19-17(26)15(24)14(23)12(31-19)7-29-18-16(25)13(22)9(21)6-28-18/h2-4,9,12-26H,5-7H2,1H3/t9-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1 |
| InChI Key | IUQPTJVLECPVKJ-WWGBUADBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H28O12 |
| Molecular Weight | 448.40 g/mol |
| Exact Mass | 448.15807632 g/mol |
| Topological Polar Surface Area (TPSA) | 188.00 Ų |
| XlogP | -3.20 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S,5S,6R)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/c1ee9840-853f-11ee-b90b-2bc20aa86134.jpg "2D Structure of (2S,3R,4S,5S,6R)-2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.57% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.84% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.80% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.59% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.55% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.71% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.62% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.72% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.26% | 89.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.52% | 95.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.10% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.62% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.47% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.24% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.01% | 86.92% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.02% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.60% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.58% | 85.14% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.66% | 95.83% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.10% | 96.00% |
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.
| Scleropyrum pentandrum |
| PubChem | 56957741 |
| LOTUS | LTS0238794 |
| wikiData | Q105120781 |