[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] ethaneperoxoate
| Internal ID | 98ad0695-65c1-4fce-9f28-bd4ecb72210c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids |
| IUPAC Name | [(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] ethaneperoxoate |
| SMILES (Canonical) | CC(C)CCCC(C)CCCC(C)CCCC(=CCOOC(=O)C)C |
| SMILES (Isomeric) | C[C@H](CCC[C@H](C)CCC/C(=C/COOC(=O)C)/C)CCCC(C)C |
| InChI | InChI=1S/C22H42O3/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-25-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+/t19-,20-/m0/s1 |
| InChI Key | FJOYMCJYEZOBCF-REYVGQHQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H42O3 |
| Molecular Weight | 354.60 g/mol |
| Exact Mass | 354.31339520 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 8.80 |
| There are no found synonyms. |
![2D Structure of [(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] ethaneperoxoate](https://plantaedb.com/storage/docs/compounds/2023/11/e7s11s-371115-tetramethylhexadec-2-enyl-ethaneperoxoate.jpg "2D Structure of [(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] ethaneperoxoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.39% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.25% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.53% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.66% | 97.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.19% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.81% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.67% | 94.45% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 84.28% | 92.51% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.83% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.78% | 96.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.86% | 93.31% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.87% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.36% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.00% | 100.00% |
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.
| Leucosceptrum canum |
| PubChem | 163195030 |
| LOTUS | LTS0201917 |
| wikiData | Q104996255 |