(2E,4E,8Z,11Z)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide

Details

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Internal ID 4ad26da6-551b-458a-943a-5c914899b3dc
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name (2E,4E,8Z,11Z)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide
SMILES (Canonical) CCC=CCC=CCCC=CC=CC(=O)NC(C)CC
SMILES (Isomeric) CC/C=C\C/C=C\CC/C=C/C=C/C(=O)N[C@@H](C)CC
InChI InChI=1S/C18H29NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(20)19-17(3)5-2/h6-7,9-10,13-17H,4-5,8,11-12H2,1-3H3,(H,19,20)/b7-6-,10-9-,14-13+,16-15+/t17-/m0/s1
InChI Key ASRZUUIQEMYXLQ-BWNQCOBISA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H29NO
Molecular Weight 275.40 g/mol
Exact Mass 275.224914549 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2E,4E,8Z,11Z)-N-[(2S)-butan-2-yl]tetradeca-2,4,8,11-tetraenamide

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
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 93.46% 89.34%
CHEMBL2581 P07339 Cathepsin D 92.62% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.52% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.32% 99.17%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 88.28% 100.00%
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 87.39% 90.75%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.16% 94.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.79% 96.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.55% 96.47%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.74% 94.45%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.67% 93.56%

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.
Zanthoxylum integrifoliolum

Cross-Links

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PubChem 163042941
LOTUS LTS0149771
wikiData Q104918028