[3-Bromo-1-[5-(1-bromoprop-2-ynyl)-3-hydroxyoxolan-2-yl]oct-5-en-2-yl] acetate
| Internal ID | d0d502b7-63c7-4999-92ad-59b4935b958f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds |
| IUPAC Name | [3-bromo-1-[5-(1-bromoprop-2-ynyl)-3-hydroxyoxolan-2-yl]oct-5-en-2-yl] acetate |
| SMILES (Canonical) | CCC=CCC(C(CC1C(CC(O1)C(C#C)Br)O)OC(=O)C)Br |
| SMILES (Isomeric) | CCC=CCC(C(CC1C(CC(O1)C(C#C)Br)O)OC(=O)C)Br |
| InChI | InChI=1S/C17H24Br2O4/c1-4-6-7-8-13(19)16(22-11(3)20)10-17-14(21)9-15(23-17)12(18)5-2/h2,6-7,12-17,21H,4,8-10H2,1,3H3 |
| InChI Key | AHJKPRCXDUDCBX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24Br2O4 |
| Molecular Weight | 452.20 g/mol |
| Exact Mass | 452.00209 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of [3-Bromo-1-[5-(1-bromoprop-2-ynyl)-3-hydroxyoxolan-2-yl]oct-5-en-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3-bromo-1-5-1-bromoprop-2-ynyl-3-hydroxyoxolan-2-yloct-5-en-2-yl-acetate.jpg "2D Structure of [3-Bromo-1-[5-(1-bromoprop-2-ynyl)-3-hydroxyoxolan-2-yl]oct-5-en-2-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 | 97.41% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.26% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.20% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.97% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.17% | 97.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.22% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.94% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.84% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.66% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.38% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.44% | 91.19% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.07% | 95.93% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.38% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.11% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.61% | 89.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.08% | 94.73% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162899238 |
| LOTUS | LTS0090990 |
| wikiData | Q104912273 |