(2S,3R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
| Internal ID | 7a4ec819-cb2a-4412-9669-603ee24da7bd |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins > Epigallocatechins |
| IUPAC Name | (2S,3R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)O)C2C(CC3=C(C=C(C=C3O2)O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)O)[C@H]2[C@@H](CC3=C(C=C(C=C3O2)O)O)O |
| InChI | InChI=1S/C16H16O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-5,12,16-21H,6H2,1H3/t12-,16+/m1/s1 |
| InChI Key | BWMRFDYQOMYDPB-WBMJQRKESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O7 |
| Molecular Weight | 320.29 g/mol |
| Exact Mass | 320.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
| 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 | 99.50% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.69% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.55% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.51% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.82% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.60% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.47% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.54% | 92.94% |
| CHEMBL3194 | P02766 | Transthyretin | 85.25% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.71% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.42% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.24% | 98.95% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 84.20% | 95.55% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.97% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.38% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.89% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.66% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.57% | 94.73% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.37% | 88.48% |
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.
| Maytenus boaria |
| PubChem | 163086166 |
| LOTUS | LTS0081736 |
| wikiData | Q104947396 |