N-[2-(4-methoxyphenyl)ethyl]-2-methylbut-2-enamide

Details

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Internal ID 4a0ee0b4-89b9-4783-b611-b88864233234
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name N-[2-(4-methoxyphenyl)ethyl]-2-methylbut-2-enamide
SMILES (Canonical) CC=C(C)C(=O)NCCC1=CC=C(C=C1)OC
SMILES (Isomeric) CC=C(C)C(=O)NCCC1=CC=C(C=C1)OC
InChI InChI=1S/C14H19NO2/c1-4-11(2)14(16)15-10-9-12-5-7-13(17-3)8-6-12/h4-8H,9-10H2,1-3H3,(H,15,16)
InChI Key KGZJCONTSAVXLQ-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C14H19NO2
Molecular Weight 233.31 g/mol
Exact Mass 233.141578849 g/mol
Topological Polar Surface Area (TPSA) 38.30 Ų
XlogP 2.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-[2-(4-methoxyphenyl)ethyl]-2-methylbut-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.18% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.52% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.31% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.73% 99.17%
CHEMBL4208 P20618 Proteasome component C5 90.17% 90.00%
CHEMBL3437 Q16853 Amine oxidase, copper containing 88.93% 94.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 88.73% 97.21%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.59% 95.50%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 88.58% 89.33%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 88.50% 96.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.22% 94.45%
CHEMBL221 P23219 Cyclooxygenase-1 86.24% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.96% 95.56%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 84.91% 96.67%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.27% 94.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.89% 96.00%
CHEMBL2535 P11166 Glucose transporter 82.55% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.92% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 81.49% 94.73%
CHEMBL3492 P49721 Proteasome Macropain subunit 80.42% 90.24%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 80.28% 87.67%

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.
Clausena lansium

Cross-Links

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PubChem 123793891
LOTUS LTS0274666
wikiData Q105141050