Methyl arachidate

Details

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Internal ID 5fade01a-0d81-4b5f-9e5f-61c220c5d11b
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters
IUPAC Name methyl icosanoate
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCC(=O)OC
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCC(=O)OC
InChI InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
InChI Key QGBRLVONZXHAKJ-UHFFFAOYSA-N
Popularity 270 references in papers

Physical and Chemical Properties

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Molecular Formula C21H42O2
Molecular Weight 326.60 g/mol
Exact Mass 326.318480578 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 10.10

Synonyms

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1120-28-1
Methyl icosanoate
Arachidic acid methyl ester
Eicosanoic acid, methyl ester
METHYL EICOSANOATE
Methyl arachisate
C21H42O2
MFCD00009014
Eicosanoic acid-methyl ester
Eicosanoic Acid Methyl Ester
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Methyl arachidate

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 96.26% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.06% 96.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.65% 92.08%
CHEMBL2581 P07339 Cathepsin D 90.97% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 90.03% 97.29%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.91% 96.95%
CHEMBL299 P17252 Protein kinase C alpha 86.28% 98.03%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 86.02% 94.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.93% 91.11%
CHEMBL230 P35354 Cyclooxygenase-2 85.83% 89.63%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 83.83% 92.86%
CHEMBL5255 O00206 Toll-like receptor 4 82.57% 92.50%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 82.33% 91.81%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.66% 100.00%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 81.28% 95.17%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 80.42% 85.94%

Plants that contains it

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Cross-Links

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PubChem 14259
NPASS NPC13483
LOTUS LTS0109160
wikiData Q63398929