[(2R,3S,5S)-5-(3-bromopropa-1,2-dienyl)-2-[(2E,5E)-octa-2,5-dienyl]oxolan-3-yl] acetate
| Internal ID | a651900e-28f5-4232-b632-af55ee883671 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds |
| IUPAC Name | [(2R,3S,5S)-5-(3-bromopropa-1,2-dienyl)-2-[(2E,5E)-octa-2,5-dienyl]oxolan-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H23BrO3/c1-3-4-5-6-7-8-11-16-17(20-14(2)19)13-15(21-16)10-9-12-18/h4-5,7-8,10,12,15-17H,3,6,11,13H2,1-2H3/b5-4+,8-7+/t9?,15-,16-,17+/m1/s1 |
| InChI Key | ADPYLPCYOQTHGO-RKUXPHQLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H23BrO3 |
| Molecular Weight | 355.30 g/mol |
| Exact Mass | 354.08306 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,5S)-5-(3-bromopropa-1,2-dienyl)-2-[(2E,5E)-octa-2,5-dienyl]oxolan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/cid-162942095.jpg "2D Structure of [(2R,3S,5S)-5-(3-bromopropa-1,2-dienyl)-2-[(2E,5E)-octa-2,5-dienyl]oxolan-3-yl] acetate")
| 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 | 97.81% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.49% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.39% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.94% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.00% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.55% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.94% | 97.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.94% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.04% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.80% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.43% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.49% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.98% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.55% | 89.34% |
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.
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| There are no matching plants. |
| PubChem | 162942095 |
| LOTUS | LTS0079298 |
| wikiData | Q104909736 |