4'-O-methylepigallocatechin-3-O-ferulate
| Internal ID | 3f71c80b-3969-473b-bf23-af55f8757045 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins > Epigallocatechins |
| IUPAC Name | [(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C(=C4)O)OC)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C(=C4)O)OC)O)O)O)O |
| InChI | InChI=1S/C26H24O10/c1-33-22-7-13(3-5-17(22)28)4-6-24(32)35-23-12-16-18(29)10-15(27)11-21(16)36-25(23)14-8-19(30)26(34-2)20(31)9-14/h3-11,23,25,27-31H,12H2,1-2H3/b6-4+/t23-,25-/m1/s1 |
| InChI Key | XDTJJIJEOFWRLC-JLRMUMSLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H24O10 |
| Molecular Weight | 496.50 g/mol |
| Exact Mass | 496.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 2.60 |
| 4'-O-methylepigallocatechin-3-O-ferulate |
| Q27138598 |
| 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 | 99.49% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.60% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.85% | 86.33% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 96.42% | 92.98% |
| CHEMBL3194 | P02766 | Transthyretin | 94.75% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.55% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.01% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.29% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.76% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.50% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.01% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.25% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.61% | 96.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.36% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.19% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.43% | 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.
| Parapiptadenia rigida |
| PubChem | 50907975 |
| LOTUS | LTS0070721 |
| wikiData | Q27138598 |