N-(2-methylpropyl)-3-phenylprop-2-enamide

Details

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Internal ID 2cec38f3-a8b5-4727-98b7-b48d99acf750
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid amides
IUPAC Name N-(2-methylpropyl)-3-phenylprop-2-enamide
SMILES (Canonical) CC(C)CNC(=O)C=CC1=CC=CC=C1
SMILES (Isomeric) CC(C)CNC(=O)C=CC1=CC=CC=C1
InChI InChI=1S/C13H17NO/c1-11(2)10-14-13(15)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,14,15)
InChI Key LNXFPTPVIMNAOD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H17NO
Molecular Weight 203.28 g/mol
Exact Mass 203.131014166 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 3.00

Synonyms

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NCIOpen2_002880

2D Structure

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2D Structure of N-(2-methylpropyl)-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 97.21% 98.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 94.34% 96.00%
CHEMBL221 P23219 Cyclooxygenase-1 92.87% 90.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.55% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.13% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.04% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 89.30% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.21% 86.33%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 84.38% 100.00%
CHEMBL5028 O14672 ADAM10 83.62% 97.50%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.47% 93.56%
CHEMBL4208 P20618 Proteasome component C5 82.85% 90.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.04% 90.24%
CHEMBL2563 Q9UQL6 Histone deacetylase 5 80.86% 89.67%

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 247993
LOTUS LTS0023268
wikiData Q105154561