N-(2-Phenylethyl)[3(E),6(Z),8(E)]-decatrienamide

Details

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Internal ID 03d7b78d-02bb-442a-bd9c-3976f1b1acee
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name (3E,6Z,8E)-N-(2-phenylethyl)deca-3,6,8-trienamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H23NO/c1-2-3-4-5-6-7-11-14-18(20)19-16-15-17-12-9-8-10-13-17/h2-5,7-13H,6,14-16H2,1H3,(H,19,20)/b3-2+,5-4-,11-7+
InChI Key JXTWKTFLYPOHOY-SJNNGMBMSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H23NO
Molecular Weight 269.40 g/mol
Exact Mass 269.177964357 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 4.10

Synonyms

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JXTWKTFLYPOHOY-SJNNGMBMSA-N

2D Structure

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2D Structure of N-(2-Phenylethyl)[3(E),6(Z),8(E)]-decatrienamide

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 97.75% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 95.89% 90.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.11% 96.09%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 88.35% 96.67%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.66% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 87.47% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.04% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.21% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.03% 86.33%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.00% 95.50%
CHEMBL3902 P09211 Glutathione S-transferase Pi 82.96% 93.81%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 81.89% 89.33%
CHEMBL5028 O14672 ADAM10 80.67% 97.50%
CHEMBL2535 P11166 Glucose transporter 80.15% 98.75%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 80.08% 94.62%
CHEMBL3959 P16083 Quinone reductase 2 80.00% 89.49%

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.
Acmella ciliata

Cross-Links

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PubChem 6422050
LOTUS LTS0117488
wikiData Q105136802