3-Bromo-5-(2-bromo-1-chloropropan-2-yl)-2-(2-bromoethenyl)-2-methyloxolane
| Internal ID | 00f4ce85-88c7-4158-a59d-e035370d223d |
| Taxonomy | Organoheterocyclic compounds > Tetrahydrofurans |
| IUPAC Name | 3-bromo-5-(2-bromo-1-chloropropan-2-yl)-2-(2-bromoethenyl)-2-methyloxolane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H14Br3ClO/c1-9(13,6-14)8-5-7(12)10(2,15-8)3-4-11/h3-4,7-8H,5-6H2,1-2H3 |
| InChI Key | WZBGMRRSJBIOSX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H14Br3ClO |
| Molecular Weight | 425.38 g/mol |
| Exact Mass | 423.82628 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.62% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.47% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.12% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.10% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.51% | 96.61% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.49% | 96.77% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.13% | 89.63% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.99% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.67% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.16% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.92% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.19% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.07% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73837320 |
| LOTUS | LTS0084907 |
| wikiData | Q105322938 |