Methyl 5-trimethylsilyloxyoctacosanoate

Details

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Internal ID 1d48684f-9791-4760-840d-0079b91cae6b
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters
IUPAC Name methyl 5-trimethylsilyloxyoctacosanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C32H66O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31(35-36(3,4)5)29-27-30-32(33)34-2/h31H,6-30H2,1-5H3
InChI Key MLJDUZQZKNJLMX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C32H66O3Si
Molecular Weight 526.90 g/mol
Exact Mass 526.47812250 g/mol
Topological Polar Surface Area (TPSA) 35.50 Ų
XlogP 0.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Methyl 5-trimethylsilyloxyoctacosanoate

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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
CHEMBL3060 Q9Y345 Glycine transporter 2 96.89% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.35% 96.09%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 92.61% 95.17%
CHEMBL2581 P07339 Cathepsin D 90.62% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.42% 94.45%
CHEMBL5255 O00206 Toll-like receptor 4 85.80% 92.50%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.64% 93.56%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 85.54% 97.29%
CHEMBL4227 P25090 Lipoxin A4 receptor 85.42% 100.00%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 85.09% 91.81%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.25% 94.33%
CHEMBL3401 O75469 Pregnane X receptor 84.23% 94.73%
CHEMBL230 P35354 Cyclooxygenase-2 83.72% 89.63%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 83.72% 92.08%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.82% 91.11%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 82.81% 96.90%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.32% 96.00%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.97% 100.00%
CHEMBL221 P23219 Cyclooxygenase-1 81.36% 90.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.49% 90.71%

Plants that contains it

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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.
Cerinthe minor

Cross-Links

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PubChem 162871787
LOTUS LTS0127791
wikiData Q105166724