Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside]
| Internal ID | e7326cf4-4fdb-4a3e-bb63-0622dc87ad31 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 1-[2,4-dimethoxy-6-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]ethanone |
| SMILES (Canonical) | CC(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O)OC)OC |
| SMILES (Isomeric) | CC(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O)OC)OC |
| InChI | InChI=1S/C21H30O13/c1-8(22)14-11(30-3)4-9(29-2)5-12(14)33-21-19(28)17(26)16(25)13(34-21)7-32-20-18(27)15(24)10(23)6-31-20/h4-5,10,13,15-21,23-28H,6-7H2,1-3H3 |
| InChI Key | BAYBVSSLAYYEKP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O13 |
| Molecular Weight | 490.50 g/mol |
| Exact Mass | 490.16864101 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | -2.70 |
| CHEBI:169408 |
| 1-[2,4-dimethoxy-6-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]ethanone |
![2D Structure of Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside]](https://plantaedb.com/storage/docs/compounds/2023/11/phloroacetophenone-6-xylosyl-1-6-glucoside.jpg "2D Structure of Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside]")
| 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 | 98.92% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.38% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.55% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.51% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.44% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.81% | 95.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.65% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.16% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.69% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.52% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.57% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.24% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.73% | 92.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.56% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.33% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.04% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.05% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.72% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.73% | 83.82% |
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.
| Triadica sebifera |
| PubChem | 131751293 |
| LOTUS | LTS0099089 |
| wikiData | Q104922540 |