3,4-Dimethoxybenzyl beta-D-glucopyranoside
| Internal ID | 7c04f44d-f91c-4f3f-b0dc-0209a1a1f311 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | (2R,3R,4S,5S,6R)-2-[(3,4-dimethoxyphenyl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC |
| InChI | InChI=1S/C15H22O8/c1-20-9-4-3-8(5-10(9)21-2)7-22-15-14(19)13(18)12(17)11(6-16)23-15/h3-5,11-19H,6-7H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1 |
| InChI Key | IRZNSDOJKREJKN-UXXRCYHCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H22O8 |
| Molecular Weight | 330.33 g/mol |
| Exact Mass | 330.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | -0.80 |
| There are no found synonyms. |
| 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 | 97.99% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.91% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.33% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.11% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.87% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.88% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.35% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.05% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.37% | 92.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.96% | 95.89% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.84% | 90.20% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.25% | 97.36% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.56% | 98.75% |
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.
| Cucurbita pepo |
| PubChem | 21581594 |
| LOTUS | LTS0096852 |
| wikiData | Q105119321 |