(5S)-5-[(1E,3R)-10,10-dibromo-3-methoxydeca-1,9-dienyl]oxolan-2-one
| Internal ID | 02269137-0828-499e-afc1-69a6efbfce68 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (5S)-5-[(1E,3R)-10,10-dibromo-3-methoxydeca-1,9-dienyl]oxolan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H22Br2O3/c1-19-12(6-4-2-3-5-7-14(16)17)8-9-13-10-11-15(18)20-13/h7-9,12-13H,2-6,10-11H2,1H3/b9-8+/t12-,13-/m1/s1 |
| InChI Key | VKOGIGKSQGLZNY-RYYBZQDPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H22Br2O3 |
| Molecular Weight | 410.14 g/mol |
| Exact Mass | 409.99152 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (5S)-5-[(1E,3R)-10,10-dibromo-3-methoxydeca-1,9-dienyl]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5s-5-1e3r-1010-dibromo-3-methoxydeca-19-dienyloxolan-2-one.jpg "2D Structure of (5S)-5-[(1E,3R)-10,10-dibromo-3-methoxydeca-1,9-dienyl]oxolan-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.06% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.69% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.25% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.00% | 90.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.79% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.32% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.22% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.64% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.22% | 94.75% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.81% | 93.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.39% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.36% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.35% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.80% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.39% | 95.89% |
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 | 51002946 |
| LOTUS | LTS0131121 |
| wikiData | Q105287947 |