4-O-(6'-O-p-hydroxybenzoyl-beta-d-glucopyranosyl)-cis-p-coumaric acid
| Internal ID | 5fe57700-1db0-4c5d-b974-e45e2a83e3a1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (Z)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoic acid |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)O)OC2C(C(C(C(O2)COC(=O)C3=CC=C(C=C3)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C\C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=C(C=C3)O)O)O)O |
| InChI | InChI=1S/C22H22O10/c23-14-6-4-13(5-7-14)21(29)30-11-16-18(26)19(27)20(28)22(32-16)31-15-8-1-12(2-9-15)3-10-17(24)25/h1-10,16,18-20,22-23,26-28H,11H2,(H,24,25)/b10-3-/t16-,18-,19+,20-,22-/m1/s1 |
| InChI Key | DNXQWQYHVBTOTM-JZZDJZDYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H22O10 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 1.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.85% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.76% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.63% | 91.49% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 94.55% | 85.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.34% | 99.17% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 93.34% | 97.64% |
| CHEMBL3194 | P02766 | Transthyretin | 92.69% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.26% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.82% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.17% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.81% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.18% | 96.09% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.25% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.06% | 89.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.62% | 89.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.50% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.32% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.07% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.79% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.74% | 95.56% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.34% | 83.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.01% | 95.50% |
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 |
| PubChem | 129881861 |
| LOTUS | LTS0090591 |
| wikiData | Q104985845 |