Methyl 4,10-dimethyldodecanoate

Details

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Internal ID 0300c3fa-ac53-4139-829b-6b261ec59062
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters
IUPAC Name methyl 4,10-dimethyldodecanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H30O2/c1-5-13(2)9-7-6-8-10-14(3)11-12-15(16)17-4/h13-14H,5-12H2,1-4H3
InChI Key DLAGEJXIKKDOFI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H30O2
Molecular Weight 242.40 g/mol
Exact Mass 242.224580195 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 5.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Methyl 4,10-dimethyldodecanoate

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.10% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.04% 99.17%
CHEMBL2581 P07339 Cathepsin D 89.99% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 89.88% 97.29%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 87.98% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.95% 93.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.87% 94.45%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.38% 94.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.81% 96.00%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 83.72% 95.71%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.57% 100.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.10% 97.21%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.96% 90.71%
CHEMBL3437 Q16853 Amine oxidase, copper containing 82.78% 94.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.21% 91.11%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.13% 96.95%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.77% 96.47%
CHEMBL2885 P07451 Carbonic anhydrase III 80.33% 87.45%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 139585560
LOTUS LTS0091862
wikiData Q105219502