ethyl (2S,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-8-carboxylate
| Internal ID | 7f55216a-8074-4d41-bef4-51a8af66016f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavan-3-ols |
| IUPAC Name | ethyl (2S,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-8-carboxylate |
| SMILES (Canonical) | CCOC(=O)C1=C(C=C(C2=C1OC(C(C2)O)C3=CC=C(C=C3)O)O)O |
| SMILES (Isomeric) | CCOC(=O)C1=C(C=C(C2=C1O[C@H]([C@@H](C2)O)C3=CC=C(C=C3)O)O)O |
| InChI | InChI=1S/C18H18O7/c1-2-24-18(23)15-13(21)8-12(20)11-7-14(22)16(25-17(11)15)9-3-5-10(19)6-4-9/h3-6,8,14,16,19-22H,2,7H2,1H3/t14-,16+/m1/s1 |
| InChI Key | PIUQFMJYOHEDCV-ZBFHGGJFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O7 |
| Molecular Weight | 346.30 g/mol |
| Exact Mass | 346.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 2.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.99% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.41% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.25% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.96% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.88% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.06% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.57% | 95.56% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 87.23% | 90.93% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.07% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.89% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.78% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.72% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.24% | 99.17% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.62% | 93.65% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.12% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.81% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.50% | 98.75% |
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.
| Daphne genkwa |
| PubChem | 162876363 |
| LOTUS | LTS0261302 |
| wikiData | Q105209729 |