(5R)-5-[(1E,3S)-10,10-dibromo-3-hydroxydeca-1,9-dienyl]oxolan-2-one
| Internal ID | 2c027332-98e3-414f-ad8c-62d1e3b6e153 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (5R)-5-[(1E,3S)-10,10-dibromo-3-hydroxydeca-1,9-dienyl]oxolan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H20Br2O3/c15-13(16)6-4-2-1-3-5-11(17)7-8-12-9-10-14(18)19-12/h6-8,11-12,17H,1-5,9-10H2/b8-7+/t11-,12-/m0/s1 |
| InChI Key | MZAQGPQBEPVOJJ-BRQSLIGTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H20Br2O3 |
| Molecular Weight | 396.11 g/mol |
| Exact Mass | 395.97587 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of (5R)-5-[(1E,3S)-10,10-dibromo-3-hydroxydeca-1,9-dienyl]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5r-5-1e3s-1010-dibromo-3-hydroxydeca-19-dienyloxolan-2-one.jpg "2D Structure of (5R)-5-[(1E,3S)-10,10-dibromo-3-hydroxydeca-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 | 96.85% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.48% | 93.99% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.25% | 90.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.14% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.32% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.04% | 95.56% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 89.28% | 95.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.71% | 96.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.05% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.45% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.13% | 97.09% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.42% | 95.92% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.76% | 89.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.56% | 93.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.70% | 96.47% |
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 | 51002845 |
| LOTUS | LTS0016478 |
| wikiData | Q105175333 |