(3S,6S)-6-bromo-6-[(5S)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-methylhex-1-en-3-ol
| Internal ID | 21c4a6d3-d505-4368-9649-af2c333adf17 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | (3S,6S)-6-bromo-6-[(5S)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-methylhex-1-en-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H26Br2O2/c1-6-14(4,18)9-7-12(17)15(5)10-8-11(16)13(2,3)19-15/h6,11-12,18H,1,7-10H2,2-5H3/t11-,12-,14+,15?/m0/s1 |
| InChI Key | HETKQJWBRYLJQV-KFUGQBAVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H26Br2O2 |
| Molecular Weight | 398.17 g/mol |
| Exact Mass | 398.02791 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (3S,6S)-6-bromo-6-[(5S)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-methylhex-1-en-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3s6s-6-bromo-6-5s-5-bromo-266-trimethyloxan-2-yl-3-methylhex-1-en-3-ol.jpg "2D Structure of (3S,6S)-6-bromo-6-[(5S)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-methylhex-1-en-3-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.67% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.08% | 91.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 92.67% | 90.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.77% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.65% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.42% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.17% | 96.47% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.65% | 85.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.26% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.07% | 96.43% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.28% | 97.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.80% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.40% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.25% | 92.62% |
| 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!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 163082067 |
| LOTUS | LTS0127899 |
| wikiData | Q105027031 |