(2s,3s)-3,7,8,3',4'-Pentahydroxyflavane
| Internal ID | 275e72d0-5557-4927-89f0-1ba12a6b270d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavan-3-ols |
| IUPAC Name | (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7,8-triol |
| SMILES (Canonical) | C1C(C(OC2=C1C=CC(=C2O)O)C3=CC(=C(C=C3)O)O)O |
| SMILES (Isomeric) | C1[C@@H]([C@@H](OC2=C1C=CC(=C2O)O)C3=CC(=C(C=C3)O)O)O |
| InChI | InChI=1S/C15H14O6/c16-9-3-1-7(5-11(9)18)14-12(19)6-8-2-4-10(17)13(20)15(8)21-14/h1-5,12,14,16-20H,6H2/t12-,14-/m0/s1 |
| InChI Key | TXULLYMENMRLHL-JSGCOSHPSA-N |
| Popularity | 1 reference 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 |
| (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7,8-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.75% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.53% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.95% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.98% | 99.15% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.85% | 95.62% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.75% | 97.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.42% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.26% | 94.73% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.16% | 88.48% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.65% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.79% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.35% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.37% | 94.45% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.56% | 85.11% |
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.
| Senegalia polyacantha |
| PubChem | 26194356 |
| LOTUS | LTS0165440 |
| wikiData | Q105267013 |