1-[2-[6-Bromo-2-(3-bromopropa-1,2-dienyl)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-5-yl]cyclopropyl]-1-chloropropan-2-ol
| Internal ID | 16710623-138a-4651-b9a3-4df60157486f |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | 1-[2-[6-bromo-2-(3-bromopropa-1,2-dienyl)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-5-yl]cyclopropyl]-1-chloropropan-2-ol |
| SMILES (Canonical) | CC(C(C1CC1C2=C(C3C(O2)CC(O3)C=C=CBr)Br)Cl)O |
| SMILES (Isomeric) | CC(C(C1CC1C2=C(C3C(O2)CC(O3)C=C=CBr)Br)Cl)O |
| InChI | InChI=1S/C15H17Br2ClO3/c1-7(19)13(18)9-6-10(9)14-12(17)15-11(21-14)5-8(20-15)3-2-4-16/h3-4,7-11,13,15,19H,5-6H2,1H3 |
| InChI Key | NPYXITOJUNTZLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H17Br2ClO3 |
| Molecular Weight | 440.55 g/mol |
| Exact Mass | 439.92125 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 1-[2-[6-Bromo-2-(3-bromopropa-1,2-dienyl)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-5-yl]cyclopropyl]-1-chloropropan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/f5f49d20-8284-11ee-9535-2fb0cc2cffab.jpg "2D Structure of 1-[2-[6-Bromo-2-(3-bromopropa-1,2-dienyl)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-5-yl]cyclopropyl]-1-chloropropan-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.82% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.66% | 95.58% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.14% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.44% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.57% | 97.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 89.51% | 96.61% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.95% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.94% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.43% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.42% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.70% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.56% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.17% | 98.05% |
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.
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| There are no matching plants. |
| PubChem | 14355388 |
| LOTUS | LTS0202169 |
| wikiData | Q105183570 |