(2S,3R,4S,5R)-2-(2-(2,4-dihydroxyphenethyl)-5-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
| Internal ID | 9eda3747-56f8-46ad-bf6f-5e5100bb0c66 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | (2S,3R,4S,5R)-2-[2-[2-(2,4-dihydroxyphenyl)ethyl]-5-hydroxyphenoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | C1C(C(C(C(O1)OC2=C(C=CC(=C2)O)CCC3=C(C=C(C=C3)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=CC(=C2)O)CCC3=C(C=C(C=C3)O)O)O)O)O |
| InChI | InChI=1S/C19H22O8/c20-12-5-3-10(14(22)7-12)1-2-11-4-6-13(21)8-16(11)27-19-18(25)17(24)15(23)9-26-19/h3-8,15,17-25H,1-2,9H2/t15-,17+,18-,19+/m1/s1 |
| InChI Key | QKHHOTYFRWNZNT-LULLPPNCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H22O8 |
| Molecular Weight | 378.40 g/mol |
| Exact Mass | 378.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 1.00 |
| BDBM50264085 |
| (2S,3R,4S,5R)-2-(2-(2,4-dihydroxyphenethyl)-5-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-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 | 99.33% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.49% | 89.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.83% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.93% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.77% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.87% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.75% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 86.58% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.05% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.90% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.77% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.74% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.22% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.02% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.82% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.81% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.25% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.02% | 92.94% |
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.
| Chlorophytum arundinaceum |
| PubChem | 44579614 |
| LOTUS | LTS0118000 |
| wikiData | Q105223115 |