Epicatechin(4b->8)epigallocatechin 3-O-gallate
| Internal ID | dd2b7b91-fcf7-49c7-9c73-4366ac609bf5 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | [8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O |
| SMILES (Isomeric) | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O |
| InChI | InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(12-1-2-17(39)19(41)3-12)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)13-4-22(44)31(48)23(45)5-13/h1-9,11,27,30,33-35,38-50H,10H2 |
| InChI Key | BUOLDWJIICQRBU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H30O17 |
| Molecular Weight | 746.60 g/mol |
| Exact Mass | 746.14829948 g/mol |
| Topological Polar Surface Area (TPSA) | 308.00 Ų |
| XlogP | 3.20 |
| Epicatechin-(4beta->8)-epigallocatechin 3-O-gallate |
| 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 | 99.64% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.71% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 96.38% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.64% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.67% | 97.09% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 92.53% | 83.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.32% | 96.12% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.28% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.19% | 89.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 90.95% | 96.37% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.51% | 95.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.14% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.09% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.77% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.90% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.43% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.69% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.31% | 95.78% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.97% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.72% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.45% | 95.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.69% | 99.35% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.32% | 94.00% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.31% | 97.53% |
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.
| Fagopyrum megacarpum |
| Phyllanthus emblica |
| Platanus orientalis |
| Quercus robur |
| Rhodiola semenovii |
| PubChem | 14521001 |
| LOTUS | LTS0131358 |
| wikiData | Q104946201 |