p-Coumaroyl-D-glucose
| Internal ID | 85e80c2a-4ee6-4148-bfce-8cdf7c4666eb |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| IUPAC Name | (E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(4-hydroxyphenyl)non-1-ene-3,4-dione |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)C(=O)C(C(C(C(CO)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/C(=O)C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O |
| InChI | InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-3-8-1-4-9(17)5-2-8/h1-6,11,13-17,19,21-23H,7H2/b6-3+/t11-,13-,14+,15+/m1/s1 |
| InChI Key | MBXDFASBTUWDHK-MFFVXOFNSA-N |
| Popularity | 39 references in papers |
| Molecular Formula | C15H18O8 |
| Molecular Weight | 326.30 g/mol |
| Exact Mass | 326.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | -1.80 |
| CHEBI:190396 |
| (E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(4-hydroxyphenyl)non-1-ene-3,4-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.43% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.30% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.61% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.56% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.59% | 96.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.57% | 89.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.50% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.88% | 89.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.63% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.59% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 83.30% | 90.71% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.64% | 93.10% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.36% | 100.00% |
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.
| Capsicum annuum |
| Malus pumila |
| Ribes rubrum |
| PubChem | 21039417 |
| LOTUS | LTS0220843 |
| wikiData | Q105152341 |