(2e,7z)-N-isobutyl-2,7-decadienamide

Details

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Internal ID 9d4e035a-590d-41ea-a45e-b6ef2f0f0ccd
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name (2E,7Z)-N-(2-methylpropyl)deca-2,7-dienamide
SMILES (Canonical) CCC=CCCCC=CC(=O)NCC(C)C
SMILES (Isomeric) CC/C=C\CCC/C=C/C(=O)NCC(C)C
InChI InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h5-6,10-11,13H,4,7-9,12H2,1-3H3,(H,15,16)/b6-5-,11-10+
InChI Key KAKMBGZLFLCIHF-GWZUCBFCSA-N
Popularity 1 reference 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 3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2e,7z)-N-isobutyl-2,7-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 95.96% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 92.51% 97.29%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.61% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.36% 99.17%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 87.52% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.83% 91.11%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.15% 93.56%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 84.94% 95.71%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 83.91% 94.33%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 83.68% 89.34%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 82.77% 96.38%
CHEMBL226 P30542 Adenosine A1 receptor 82.72% 95.93%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.41% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 81.37% 94.73%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.19% 96.47%

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.
Blainvillea acmella

Cross-Links

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PubChem 129848087
LOTUS LTS0079018
wikiData Q105137878