(2R)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]butanedioic acid
| Internal ID | f31710ec-5646-42dc-926c-a37f3f4b1a3e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins |
| IUPAC Name | (2R)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]butanedioic acid |
| SMILES (Canonical) | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(CC(=O)O)C(=O)O |
| SMILES (Isomeric) | C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O[C@H](CC(=O)O)C(=O)O |
| InChI | InChI=1S/C19H18O10/c20-9-4-12(22)10-6-15(28-16(19(26)27)7-17(24)25)18(29-14(10)5-9)8-1-2-11(21)13(23)3-8/h1-5,15-16,18,20-23H,6-7H2,(H,24,25)(H,26,27)/t15-,16-,18-/m1/s1 |
| InChI Key | NSNRQKWIGKNCIC-JFIYKMOQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O10 |
| Molecular Weight | 406.30 g/mol |
| Exact Mass | 406.08999677 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]butanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/ee8d7020-8605-11ee-b927-29f7330fdc5b.jpg "2D Structure of (2R)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]butanedioic acid")
| 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 | 99.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.70% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.19% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.78% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.56% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.58% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.90% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.34% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 86.79% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.60% | 94.45% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 85.69% | 96.37% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.03% | 94.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.11% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.94% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.83% | 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.
| Prunus cerasus |
| PubChem | 162844507 |
| LOTUS | LTS0158627 |
| wikiData | Q105185154 |