N-(1-methoxy-4-methylpentan-2-yl)-2-methylhexa-2,4-dienamide

Details

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Internal ID bcd49445-1a24-44dc-8d08-bc0fd3c0b42c
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name N-(1-methoxy-4-methylpentan-2-yl)-2-methylhexa-2,4-dienamide
SMILES (Canonical) CC=CC=C(C)C(=O)NC(CC(C)C)COC
SMILES (Isomeric) CC=CC=C(C)C(=O)NC(CC(C)C)COC
InChI InChI=1S/C14H25NO2/c1-6-7-8-12(4)14(16)15-13(10-17-5)9-11(2)3/h6-8,11,13H,9-10H2,1-5H3,(H,15,16)
InChI Key WSESSQIXKXIOEF-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H25NO2
Molecular Weight 239.35 g/mol
Exact Mass 239.188529040 g/mol
Topological Polar Surface Area (TPSA) 38.30 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-(1-methoxy-4-methylpentan-2-yl)-2-methylhexa-2,4-dienamide

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 94.77% 96.09%
CHEMBL2581 P07339 Cathepsin D 92.86% 98.95%
CHEMBL4040 P28482 MAP kinase ERK2 92.69% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.42% 91.11%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 89.20% 97.21%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.20% 99.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.50% 96.95%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 87.45% 89.34%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 87.19% 92.29%
CHEMBL2413 P32246 C-C chemokine receptor type 1 87.06% 89.50%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 86.72% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.18% 94.45%
CHEMBL2885 P07451 Carbonic anhydrase III 86.12% 87.45%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 85.58% 94.33%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.37% 93.56%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 84.71% 95.71%
CHEMBL221 P23219 Cyclooxygenase-1 83.45% 90.17%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 82.38% 100.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.96% 85.14%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 80.83% 97.29%

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 162815364
LOTUS LTS0220259
wikiData Q104200581