Epigallocatechin 3-O-caffeate
| Internal ID | bb6cf2bf-02d5-4b60-9c68-ff07a27540fb |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins > Epigallocatechins |
| IUPAC Name | [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O |
| SMILES (Isomeric) | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O |
| InChI | InChI=1S/C24H20O10/c25-13-8-16(27)14-10-21(33-22(31)4-2-11-1-3-15(26)17(28)5-11)24(34-20(14)9-13)12-6-18(29)23(32)19(30)7-12/h1-9,21,24-30,32H,10H2/b4-2+/t21-,24-/m1/s1 |
| InChI Key | BNLVODKLELGOBT-WEDYXYFPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H20O10 |
| Molecular Weight | 468.40 g/mol |
| Exact Mass | 468.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | 2.00 |
| Epigallocatechin 3-caffeate |
| LMPK12020118 |
| 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 | 99.87% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.23% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 97.15% | 90.71% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 95.81% | 96.12% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.53% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.87% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.76% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.06% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.00% | 97.09% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 89.84% | 96.37% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.70% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.26% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.64% | 96.00% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 84.53% | 97.53% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.05% | 92.98% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.90% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.82% | 99.23% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.75% | 83.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.40% | 90.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.14% | 91.71% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.56% | 97.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.32% | 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.
| Camellia sinensis |
| PubChem | 14284598 |
| LOTUS | LTS0158836 |
| wikiData | Q76423702 |