5-Bromo-3-(3-bromo-1,2-propadienyl)-8-[2-(3-methyloxiranyl)cyclopropyl]-2,7-dioxabicyclo[4.2.0]oct-5-ene
| Internal ID | 5d9d15f1-1011-4821-8892-1bd5e439fe0f |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | (2S,3aR,6aS)-6-bromo-2-(3-bromopropa-1,2-dienyl)-5-[(1S,2R)-2-[(2S,3R)-3-methyloxiran-2-yl]cyclopropyl]-2,3,3a,6a-tetrahydrofuro[3,2-b]furan |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H16Br2O3/c1-7-13(18-7)9-6-10(9)14-12(17)15-11(20-14)5-8(19-15)3-2-4-16/h3-4,7-11,13,15H,5-6H2,1H3/t2?,7-,8-,9-,10+,11-,13-,15+/m1/s1 |
| InChI Key | DOBIJRXDCBLKRN-BKSCVJEVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H16Br2O3 |
| Molecular Weight | 404.09 g/mol |
| Exact Mass | 403.94457 g/mol |
| Topological Polar Surface Area (TPSA) | 31.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 5-Bromo-3-(3-bromo-1,2-propadienyl)-8-[2-(3-methyloxiranyl)cyclopropyl]-2,7-dioxabicyclo[4.2.0]oct-5-ene](https://plantaedb.com/storage/docs/compounds/2023/11/97e1f460-8515-11ee-84dd-4f1ac3fd8b39.jpg "2D Structure of 5-Bromo-3-(3-bromo-1,2-propadienyl)-8-[2-(3-methyloxiranyl)cyclopropyl]-2,7-dioxabicyclo[4.2.0]oct-5-ene")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.15% | 91.49% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 91.64% | 95.58% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.42% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.66% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.26% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.36% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.97% | 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 | 21123543 |
| LOTUS | LTS0236497 |
| wikiData | Q104397795 |