2-[4,5-dihydroxy-2-[2,3,4-trihydroxy-6-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
| Internal ID | 096ce978-1629-4068-8b36-94c5498d0170 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins > Epigallocatechins |
| IUPAC Name | 2-[4,5-dihydroxy-2-[2,3,4-trihydroxy-6-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| SMILES (Canonical) | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3C4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3C4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C30H26O13/c31-10-1-17(33)14-7-22(38)29(42-24(14)3-10)13-6-20(36)19(35)5-12(13)26-16(9-21(37)27(40)28(26)41)30-23(39)8-15-18(34)2-11(32)4-25(15)43-30/h1-6,9,22-23,29-41H,7-8H2 |
| InChI Key | KHLNJXULHHYAOM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O13 |
| Molecular Weight | 594.50 g/mol |
| Exact Mass | 594.13734088 g/mol |
| Topological Polar Surface Area (TPSA) | 241.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 2-[4,5-dihydroxy-2-[2,3,4-trihydroxy-6-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol](https://plantaedb.com/storage/docs/compounds/2023/11/8efaf2a0-86f7-11ee-b5ce-a744c4f4a747.jpg "2D Structure of 2-[4,5-dihydroxy-2-[2,3,4-trihydroxy-6-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol")
| 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 | 99.62% | 91.11% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.62% | 95.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.62% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.43% | 99.15% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 89.14% | 95.55% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.69% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 86.49% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.77% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.67% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.32% | 95.62% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.48% | 96.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.39% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.36% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.00% | 95.56% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.69% | 96.37% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.13% | 83.10% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.12% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.12% | 86.33% |
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 | 14080128 |
| LOTUS | LTS0035533 |
| wikiData | Q105141211 |