(4R)-4-[(1S,2R)-1-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]-3-methylideneoxan-2-one
| Internal ID | 90366331-7f6f-4b28-97a0-adae992e410a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (4R)-4-[(1S,2R)-1-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]-3-methylideneoxan-2-one |
| SMILES (Canonical) | C=CC(C1CCOC(=O)C1=C)C(O)OC2C(C(C(C(O2)CO)O)O)O |
| SMILES (Isomeric) | C=C[C@H]([C@H]1CCOC(=O)C1=C)[C@@H](O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChI | InChI=1S/C16H24O9/c1-3-8(9-4-5-23-14(21)7(9)2)15(22)25-16-13(20)12(19)11(18)10(6-17)24-16/h3,8-13,15-20,22H,1-2,4-6H2/t8-,9+,10-,11-,12+,13-,15+,16-/m1/s1 |
| InChI Key | XQIQUYZVOKAIMS-QCNQRHQPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24O9 |
| Molecular Weight | 360.36 g/mol |
| Exact Mass | 360.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of (4R)-4-[(1S,2R)-1-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]-3-methylideneoxan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/978c56f0-8736-11ee-8f51-3beaf1ff3642.jpg "2D Structure of (4R)-4-[(1S,2R)-1-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-en-2-yl]-3-methylideneoxan-2-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 | 98.26% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 94.00% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.25% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.36% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.78% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.53% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.50% | 95.89% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.33% | 95.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.20% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.46% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.10% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.54% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.31% | 95.89% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 80.91% | 96.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.68% | 90.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.45% | 96.00% |
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.
| Fagraea fragrans |
| PubChem | 163000332 |
| LOTUS | LTS0269721 |
| wikiData | Q105339723 |