2-(Hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
| Internal ID | 9936432f-a1a5-4319-a755-94e7510c3c90 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI=1S/C14H20O8/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-4,10-19H,5-6H2,1H3 |
| InChI Key | SIMPNXWTAVEOTO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H20O8 |
| Molecular Weight | 316.30 g/mol |
| Exact Mass | 316.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | -1.90 |
| SCHEMBL15358913 |
![2D Structure of 2-(Hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxymethyl-6-4-hydroxymethyl-2-methoxyphenoxyoxane-345-triol.jpg "2D Structure of 2-(Hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]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 | 97.90% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.22% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.12% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.44% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.65% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.83% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.16% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.32% | 90.20% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.03% | 86.92% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.88% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.88% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.16% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.18% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.88% | 94.73% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 69086659 |
| LOTUS | LTS0098044 |
| wikiData | Q105253857 |