4-(3,4-dihydroxyphenyl)-5,9-dihydroxy-8-(3,4,5-trihydroxyphenyl)-4,8,9,10-tetrahydro-3H-pyrano[2,3-h]chromen-2-one
| Internal ID | b1f1aa57-7fee-45b9-987f-cb63156223f9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins > Epigallocatechins |
| IUPAC Name | 4-(3,4-dihydroxyphenyl)-5,9-dihydroxy-8-(3,4,5-trihydroxyphenyl)-4,8,9,10-tetrahydro-3H-pyrano[2,3-h]chromen-2-one |
| SMILES (Canonical) | C1C(C(OC2=C1C3=C(C(CC(=O)O3)C4=CC(=C(C=C4)O)O)C(=C2)O)C5=CC(=C(C(=C5)O)O)O)O |
| SMILES (Isomeric) | C1C(C(OC2=C1C3=C(C(CC(=O)O3)C4=CC(=C(C=C4)O)O)C(=C2)O)C5=CC(=C(C(=C5)O)O)O)O |
| InChI | InChI=1S/C24H20O10/c25-13-2-1-9(3-14(13)26)11-7-20(31)34-24-12-6-18(30)23(33-19(12)8-15(27)21(11)24)10-4-16(28)22(32)17(29)5-10/h1-5,8,11,18,23,25-30,32H,6-7H2 |
| InChI Key | KZNUZOMKNDDOCW-UHFFFAOYSA-N |
| Popularity | 0 references 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 | 1.90 |
| There are no found synonyms. |
![2D Structure of 4-(3,4-dihydroxyphenyl)-5,9-dihydroxy-8-(3,4,5-trihydroxyphenyl)-4,8,9,10-tetrahydro-3H-pyrano[2,3-h]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/36e41470-8654-11ee-8925-05100b4b2a9a.jpg "2D Structure of 4-(3,4-dihydroxyphenyl)-5,9-dihydroxy-8-(3,4,5-trihydroxyphenyl)-4,8,9,10-tetrahydro-3H-pyrano[2,3-h]chromen-2-one")
| 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 | 99.86% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.26% | 83.82% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.84% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.84% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.84% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.59% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.26% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.77% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.75% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.24% | 99.23% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 87.09% | 96.37% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.99% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.25% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.06% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.53% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.25% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.54% | 93.40% |
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.
| Castanopsis sclerophylla |
| PubChem | 85075264 |
| LOTUS | LTS0081615 |
| wikiData | Q105148362 |