(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
| Internal ID | 5a7d688d-56c8-43b4-8f8e-544a87978145 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one |
| SMILES (Canonical) | COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O |
| SMILES (Isomeric) | COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| InChI | InChI=1S/C23H26O10/c1-30-14-9-16(26)19(17(10-14)31-2)15(25)8-5-12-3-6-13(7-4-12)32-23-22(29)21(28)20(27)18(11-24)33-23/h3-10,18,20-24,26-29H,11H2,1-2H3/b8-5+/t18-,20-,21+,22+,23-/m1/s1 |
| InChI Key | FKCAYXGPORSWCT-AUUWGSFXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O10 |
| Molecular Weight | 462.40 g/mol |
| Exact Mass | 462.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/0e6ded30-856a-11ee-b511-bbb99e66f980.jpg "2D Structure of (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-[4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one")
| 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 | 99.14% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.66% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.79% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.22% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.88% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.92% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.62% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.47% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 90.94% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.83% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.70% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.04% | 95.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.38% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.97% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.97% | 92.94% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.46% | 91.07% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.69% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.35% | 92.62% |
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.
| Viscum album |
| PubChem | 162974184 |
| LOTUS | LTS0096500 |
| wikiData | Q104996500 |