5-hydroxy-7-methoxy-4-[(Z)-3-methyl-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxybut-2-enyl]-3H-2-benzofuran-1-one
| Internal ID | 20fd0e86-ec64-4773-803b-e7bed41bf163 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 5-hydroxy-7-methoxy-4-[(Z)-3-methyl-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxybut-2-enyl]-3H-2-benzofuran-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H24O9/c1-9(6-27-19-17(23)16(22)13(21)8-28-19)3-4-10-11-7-26-18(24)15(11)14(25-2)5-12(10)20/h3,5,13,16-17,19-23H,4,6-8H2,1-2H3/b9-3-/t13-,16+,17-,19-/m1/s1 |
| InChI Key | CWEVZXAFQJYUCV-UBJMBKTMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H24O9 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-7-methoxy-4-[(Z)-3-methyl-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxybut-2-enyl]-3H-2-benzofuran-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/ab541fa0-864b-11ee-b3a2-fb38262f3f68.jpg "2D Structure of 5-hydroxy-7-methoxy-4-[(Z)-3-methyl-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxybut-2-enyl]-3H-2-benzofuran-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 | 99.67% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.90% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.17% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.53% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.48% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.00% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.43% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.22% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.00% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.34% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.63% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.89% | 99.17% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 86.74% | 98.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.81% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.70% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.75% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.21% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.97% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.47% | 96.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.55% | 93.40% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.05% | 97.21% |
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.
| Helichrysum arenarium |
| PubChem | 163190190 |
| LOTUS | LTS0085070 |
| wikiData | Q104971201 |