[2-hydroxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] 3,4,5-trihydroxybenzoate
| Internal ID | 7db88de2-a147-4237-990e-303561a21a12 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins > Catechin gallates |
| IUPAC Name | [2-hydroxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H18O10/c23-11-6-14(25)12-8-17(28)21(31-18(12)7-11)9-1-2-13(24)19(5-9)32-22(30)10-3-15(26)20(29)16(27)4-10/h1-7,17,21,23-29H,8H2 |
| InChI Key | GNXIIYFUGQWDJG-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H18O10 |
| Molecular Weight | 442.40 g/mol |
| Exact Mass | 442.08999677 g/mol |
| Topological Polar Surface Area (TPSA) | 177.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of [2-hydroxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-5-357-trihydroxy-34-dihydro-2h-chromen-2-ylphenyl-345-trihydroxybenzoate.jpg "2D Structure of [2-hydroxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] 3,4,5-trihydroxybenzoate")
| 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 | 99.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.24% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 95.10% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.12% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.78% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.38% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.12% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.00% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.53% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.48% | 91.49% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.37% | 83.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.16% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.61% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.78% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.51% | 98.95% |
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.
| Archidendron jiringa |
| PubChem | 74977173 |
| LOTUS | LTS0077361 |
| wikiData | Q105013426 |