2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
| Internal ID | bd3e132a-f69d-4385-8908-71cf78743caa |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)-2-methoxyphenoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CC2=NC=CN2)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CC2=NC=CN2)OC3C(C(C(C(O3)CO)O)O)O |
| InChI | InChI=1S/C17H22N2O7/c1-24-11-6-9(7-13-18-4-5-19-13)2-3-10(11)25-17-16(23)15(22)14(21)12(8-20)26-17/h2-6,12,14-17,20-23H,7-8H2,1H3,(H,18,19) |
| InChI Key | ASPNXCICLVYQCJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22N2O7 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.14270105 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
![2D Structure of 2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)-2-methoxyphenoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxymethyl-6-4-1h-imidazol-2-ylmethyl-2-methoxyphenoxyoxane-345-triol.jpg "2D Structure of 2-(hydroxymethyl)-6-[4-(1H-imidazol-2-ylmethyl)-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 | 98.93% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.45% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.87% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.86% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.99% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.16% | 86.33% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 89.15% | 85.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.40% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.26% | 95.89% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.88% | 89.44% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.60% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.83% | 98.75% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.98% | 95.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.18% | 89.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 82.64% | 97.31% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 81.57% | 97.88% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.50% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.14% | 91.11% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.31% | 96.21% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.05% | 96.90% |
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.
| Lepidium sativum |
| PubChem | 131751376 |
| LOTUS | LTS0083153 |
| wikiData | Q104917992 |