N-pentyl-3-phenylprop-2-enamide

Details

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Internal ID d39457a0-35b0-4491-9417-c434fd55276c
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid amides
IUPAC Name N-pentyl-3-phenylprop-2-enamide
SMILES (Canonical) CCCCCNC(=O)C=CC1=CC=CC=C1
SMILES (Isomeric) CCCCCNC(=O)C=CC1=CC=CC=C1
InChI InChI=1S/C14H19NO/c1-2-3-7-12-15-14(16)11-10-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3,(H,15,16)
InChI Key MEZYXXPMKKCROZ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H19NO
Molecular Weight 217.31 g/mol
Exact Mass 217.146664230 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-pentyl-3-phenylprop-2-enamide

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 98.56% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 94.36% 90.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.19% 91.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 93.89% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.35% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.54% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.18% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.59% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 87.46% 94.73%
CHEMBL4227 P25090 Lipoxin A4 receptor 87.15% 100.00%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 84.17% 92.08%
CHEMBL5028 O14672 ADAM10 83.50% 97.50%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.30% 93.56%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.40% 100.00%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 80.38% 96.67%

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.
Piper amalago

Cross-Links

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PubChem 347558
LOTUS LTS0095848
wikiData Q105162510