n-Isobutyl-2,4-decadienamide

Details

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Internal ID 3eb8465f-6d0c-48de-885e-a6d8b987e7b5
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name N-(2-methylpropyl)deca-2,4-dienamide
SMILES (Canonical) CCCCCC=CC=CC(=O)NCC(C)C
SMILES (Isomeric) CCCCCC=CC=CC(=O)NCC(C)C
InChI InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)
InChI Key MAGQQZHFHJDIRE-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C14H25NO
Molecular Weight 223.35 g/mol
Exact Mass 223.193614421 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 4.40

Synonyms

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109-26-2
N-(2-Methylpropyl)-2,4-Decadienamide
2,4-Decadienamide, N-(2-methylpropyl)-
trans-Pellitorin; trans-Pellitorine
N-Isobutyldecadienamid
DTXSID90864855
N-(2-methylpropyl)deca-2,4-dienamide

2D Structure

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2D Structure of n-Isobutyl-2,4-decadienamide

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
CHEMBL2581 P07339 Cathepsin D 97.74% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 96.83% 97.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.21% 99.17%
CHEMBL230 P35354 Cyclooxygenase-2 92.86% 89.63%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.25% 96.09%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 90.65% 89.34%
CHEMBL3359 P21462 Formyl peptide receptor 1 90.23% 93.56%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 88.45% 95.71%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 88.28% 92.86%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 87.63% 100.00%
CHEMBL221 P23219 Cyclooxygenase-1 86.38% 90.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.35% 94.45%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 86.04% 96.47%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.70% 96.95%
CHEMBL2885 P07451 Carbonic anhydrase III 85.67% 87.45%
CHEMBL3401 O75469 Pregnane X receptor 84.90% 94.73%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 84.58% 85.94%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.58% 94.33%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.42% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.70% 96.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.39% 91.11%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.33% 90.71%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.27% 97.21%

Cross-Links

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PubChem 3009280
LOTUS LTS0009070
wikiData Q103815861