(2R,3R,5S)-3-bromo-2-[(Z,3R)-3-bromopent-1-enyl]-5-[(Z,1R)-1-chlorohex-3-en-5-ynyl]oxolane
| Internal ID | 70133d0d-bbdc-4326-98f5-db61e4c31f18 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydrofurans |
| IUPAC Name | (2R,3R,5S)-3-bromo-2-[(Z,3R)-3-bromopent-1-enyl]-5-[(Z,1R)-1-chlorohex-3-en-5-ynyl]oxolane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H19Br2ClO/c1-3-5-6-7-13(18)15-10-12(17)14(19-15)9-8-11(16)4-2/h1,5-6,8-9,11-15H,4,7,10H2,2H3/b6-5-,9-8-/t11-,12-,13-,14-,15+/m1/s1 |
| InChI Key | ZKQZHWSHCZDGAY-CXDOEFTCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H19Br2ClO |
| Molecular Weight | 410.57 g/mol |
| Exact Mass | 409.94707 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (2R,3R,5S)-3-bromo-2-[(Z,3R)-3-bromopent-1-enyl]-5-[(Z,1R)-1-chlorohex-3-en-5-ynyl]oxolane](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r5s-3-bromo-2-z3r-3-bromopent-1-enyl-5-z1r-1-chlorohex-3-en-5-ynyloxolane.jpg "2D Structure of (2R,3R,5S)-3-bromo-2-[(Z,3R)-3-bromopent-1-enyl]-5-[(Z,1R)-1-chlorohex-3-en-5-ynyl]oxolane")
| 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 | 92.47% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.65% | 97.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.36% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.00% | 95.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.43% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.44% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.11% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.68% | 96.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.47% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.28% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.22% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.92% | 96.00% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 83.88% | 96.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.12% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.80% | 90.17% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 81.79% | 94.55% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.18% | 92.29% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.04% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 162871670 |
| LOTUS | LTS0236216 |
| wikiData | Q105378673 |