Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside
| Internal ID | d9d9a4f9-95d1-4c87-b200-82b3c8e27965 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m1/s1 |
| InChI Key | WPQRDUGBKUNFJW-ZZSHFKPLSA-N |
| Popularity | 21 references in papers |
| Molecular Formula | C30H26O12 |
| Molecular Weight | 578.50 g/mol |
| Exact Mass | 578.14242626 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 2.60 |
| Apigenin-7-O-(6''-O-4-coumaroyl)-beta-glucopyranoside |
| DTXSID001021352 |
| RefChem:916039 |
| DTXCID801506392 |
| Echinacin |
| J64J7O64HY |
| Acbglu |
| [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| UNII-J64J7O64HY |
| ECHINACIN (GLYCOSIDE) |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.42% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.94% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.72% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 97.24% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.92% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.05% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.12% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.69% | 99.15% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.00% | 91.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.46% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.11% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.81% | 94.45% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.11% | 95.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.74% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.67% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.47% | 86.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.22% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.98% | 99.17% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 85.70% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.39% | 95.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.78% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.57% | 95.89% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.54% | 83.57% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.79% | 95.50% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.59% | 85.31% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.43% | 95.89% |
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.
| PubChem | 6439941 |
| NPASS | NPC270675 |
| ChEMBL | CHEMBL3597472 |
| LOTUS | LTS0276335 |
| wikiData | Q27281248 |