4-(4-Hydroxyphenyl)-2-butanone glucoside
| Internal ID | 3c725975-b5f6-4ccf-a51c-cb988e855a6d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one |
| SMILES (Canonical) | CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI=1S/C16H22O7/c1-9(18)2-3-10-4-6-11(7-5-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h4-7,12-17,19-21H,2-3,8H2,1H3 |
| InChI Key | IDONYWHRKBUDOR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H22O7 |
| Molecular Weight | 326.34 g/mol |
| Exact Mass | 326.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 0.00 |
| 4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one |
| CHEBI:175166 |
| AKOS037514812 |
| 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 | 97.94% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.67% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.67% | 99.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 90.45% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.29% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.89% | 86.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.74% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.51% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.18% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.83% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.72% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.80% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.91% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.21% | 90.00% |
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.
| Artemisia gmelinii |
| Pinus contorta |
| Pinus sylvestris |
| Rheum palmatum |
| PubChem | 22376357 |
| LOTUS | LTS0034354 |
| wikiData | Q105111441 |