(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,6,8-triol
| Internal ID | eff030c9-47d6-44a6-adff-809c5b43874c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavan-3-ols |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,6,8-triol |
| SMILES (Canonical) | C1C(C(OC2=C1C=C(C=C2O)O)C3=CC(=C(C=C3)O)O)O |
| SMILES (Isomeric) | C1[C@@H]([C@H](OC2=C1C=C(C=C2O)O)C3=CC(=C(C=C3)O)O)O |
| InChI | InChI=1S/C15H14O6/c16-9-3-8-5-12(19)14(21-15(8)13(20)6-9)7-1-2-10(17)11(18)4-7/h1-4,6,12,14,16-20H,5H2/t12-,14+/m0/s1 |
| InChI Key | ADRVNXBAWSRFAJ-GXTWGEPZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H14O6 |
| Molecular Weight | 290.27 g/mol |
| Exact Mass | 290.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 1.40 |
| 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 | 99.05% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.73% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.28% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.02% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.63% | 94.73% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.09% | 97.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.41% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 86.90% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.33% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.70% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.19% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.16% | 95.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.37% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.29% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 80.26% | 90.71% |
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.
| Fagopyrum esculentum |
| Leucaena leucocephala |
| PubChem | 163015941 |
| LOTUS | LTS0071601 |
| wikiData | Q104909764 |