(2R,3aR,5R,5'S,6R,6aS)-6-bromo-5'-[(1S)-1-bromopropyl]-2-[(1R)-1-bromoprop-2-ynyl]spiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,2'-oxolane]
| Internal ID | 634b227f-dd2a-43ee-b532-7e576335b979 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | (2R,3aR,5R,5'S,6R,6aS)-6-bromo-5'-[(1S)-1-bromopropyl]-2-[(1R)-1-bromoprop-2-ynyl]spiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,2'-oxolane] |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H19Br3O3/c1-3-8(16)10-5-6-15(20-10)14(18)13-12(21-15)7-11(19-13)9(17)4-2/h2,8-14H,3,5-7H2,1H3/t8-,9+,10-,11+,12+,13-,14+,15-/m0/s1 |
| InChI Key | PRWLVULCYHQOAW-LAVCKTHVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H19Br3O3 |
| Molecular Weight | 487.00 g/mol |
| Exact Mass | 485.88638 g/mol |
| Topological Polar Surface Area (TPSA) | 27.70 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (2R,3aR,5R,5'S,6R,6aS)-6-bromo-5'-[(1S)-1-bromopropyl]-2-[(1R)-1-bromoprop-2-ynyl]spiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,2'-oxolane]](https://plantaedb.com/storage/docs/compounds/2023/11/b7a685c0-86f7-11ee-94ea-b51ec5695358.jpg "2D Structure of (2R,3aR,5R,5'S,6R,6aS)-6-bromo-5'-[(1S)-1-bromopropyl]-2-[(1R)-1-bromoprop-2-ynyl]spiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,2'-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.40% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 97.12% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.86% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.58% | 90.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.49% | 95.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.95% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.61% | 89.63% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.79% | 93.67% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.97% | 96.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.46% | 95.93% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 86.59% | 95.34% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.38% | 92.62% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.82% | 95.88% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.02% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.69% | 96.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.48% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.17% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.10% | 98.03% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.42% | 98.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.19% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.53% | 82.69% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 81.33% | 96.31% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.33% | 92.86% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.79% | 97.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.78% | 97.14% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.62% | 97.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.48% | 89.05% |
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 | 163059183 |
| LOTUS | LTS0054575 |
| wikiData | Q105213946 |