[7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
| Internal ID | 37589b51-2735-47a9-8496-1d38b1f113d3 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins > Catechin gallates |
| IUPAC Name | [7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1C(C(OC2=C1C(=CC(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O |
| SMILES (Isomeric) | C1C(C(OC2=C1C(=CC(=C2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O |
| InChI | InChI=1S/C29H22O15/c30-13-7-21-14(22(8-13)43-28(40)11-3-17(33)25(38)18(34)4-11)9-23(27(42-21)10-1-15(31)24(37)16(32)2-10)44-29(41)12-5-19(35)26(39)20(36)6-12/h1-8,23,27,30-39H,9H2 |
| InChI Key | RKUDRJTZBDEGNP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H22O15 |
| Molecular Weight | 610.50 g/mol |
| Exact Mass | 610.09586999 g/mol |
| Topological Polar Surface Area (TPSA) | 264.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/9d673880-8607-11ee-9abb-f1db99194b3e.jpg "2D Structure of [7-hydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 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 | 99.05% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.25% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 95.60% | 90.71% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 92.08% | 92.98% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.99% | 86.33% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 91.04% | 83.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.25% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.91% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.33% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.78% | 98.75% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 88.47% | 97.53% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.62% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.59% | 97.09% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 86.44% | 96.37% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.70% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.91% | 95.56% |
| CHEMBL1993 | P26358 | DNA (cytosine-5)-methyltransferase 1 | 82.80% | 95.44% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.64% | 91.19% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.45% | 95.78% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.22% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.91% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.83% | 97.21% |
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 crassicolumna |
| Camellia sinensis |
| PubChem | 3349592 |
| LOTUS | LTS0136769 |
| wikiData | Q105238872 |