N-methyl-N-phenethyl-cinnamamide

Details

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Internal ID a87c22cf-8947-4d71-8ce9-90f6c388513b
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives
IUPAC Name N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
SMILES (Canonical) CN(CCC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2
SMILES (Isomeric) CN(CCC1=CC=CC=C1)C(=O)C=CC2=CC=CC=C2
InChI InChI=1S/C18H19NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-13H,14-15H2,1H3
InChI Key FXOMVQIRHBIDBI-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H19NO
Molecular Weight 265.30 g/mol
Exact Mass 265.146664230 g/mol
Topological Polar Surface Area (TPSA) 20.30 Ų
XlogP 3.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-methyl-N-phenethyl-cinnamamide

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 97.04% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.35% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.39% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.01% 86.33%
CHEMBL221 P23219 Cyclooxygenase-1 89.35% 90.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.87% 96.00%
CHEMBL3401 O75469 Pregnane X receptor 88.31% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.51% 99.17%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.29% 93.99%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.72% 95.50%
CHEMBL5805 Q9NR97 Toll-like receptor 8 81.32% 96.25%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.42% 91.71%
CHEMBL5028 O14672 ADAM10 80.16% 97.50%

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.
Clausena lansium

Cross-Links

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PubChem 85427861
LOTUS LTS0267540
wikiData Q105004137