(2R,3R)-2-[3,4-dihydroxy-2-(2-hydroxyethylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
| Internal ID | 25dfe032-10d3-48c0-a0aa-f3cbd7560a71 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins |
| IUPAC Name | (2R,3R)-2-[3,4-dihydroxy-2-(2-hydroxyethylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| SMILES (Canonical) | C1C(C(OC2=CC(=CC(=C21)O)O)C3=C(C(=C(C=C3)O)O)SCCO)O |
| SMILES (Isomeric) | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=C(C(=C(C=C3)O)O)SCCO)O |
| InChI | InChI=1S/C17H18O7S/c18-3-4-25-17-9(1-2-11(20)15(17)23)16-13(22)7-10-12(21)5-8(19)6-14(10)24-16/h1-2,5-6,13,16,18-23H,3-4,7H2/t13-,16-/m1/s1 |
| InChI Key | CZQINZSNRRDHQO-CZUORRHYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18O7S |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.07732408 g/mol |
| Topological Polar Surface Area (TPSA) | 156.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of (2R,3R)-2-[3,4-dihydroxy-2-(2-hydroxyethylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r-2-34-dihydroxy-2-2-hydroxyethylsulfanylphenyl-34-dihydro-2h-chromene-357-triol.jpg "2D Structure of (2R,3R)-2-[3,4-dihydroxy-2-(2-hydroxyethylsulfanyl)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 | 99.49% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.51% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.11% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.86% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.56% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.35% | 97.09% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.02% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.80% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.80% | 95.93% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.40% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.37% | 86.33% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.08% | 96.37% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.72% | 95.83% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 80.62% | 96.42% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.06% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.03% | 99.17% |
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.
| Rhododendron mucronatum |
| PubChem | 12115234 |
| LOTUS | LTS0184168 |
| wikiData | Q104972981 |