N-feruloyltyramine; Moupinamide

Details

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Internal ID df3462f2-df52-4db0-ac8e-2f44a7e4ffb5
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives
IUPAC Name 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
SMILES (Canonical) COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O
SMILES (Isomeric) COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O
InChI InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)
InChI Key NPNNKDMSXVRADT-UHFFFAOYSA-N
Popularity 81 references in papers

Physical and Chemical Properties

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Molecular Formula C18H19NO4
Molecular Weight 313.30 g/mol
Exact Mass 313.13140809 g/mol
Topological Polar Surface Area (TPSA) 78.80 Ų
XlogP 2.10

Synonyms

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SCHEMBL1675910
FT-0775785
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-2-propenamide

2D Structure

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2D Structure of N-feruloyltyramine; Moupinamide

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.66% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.86% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.21% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.03% 86.33%
CHEMBL2581 P07339 Cathepsin D 94.73% 98.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 93.20% 96.00%
CHEMBL4630 O14757 Serine/threonine-protein kinase Chk1 91.82% 97.03%
CHEMBL1255126 O15151 Protein Mdm4 90.67% 90.20%
CHEMBL4208 P20618 Proteasome component C5 90.23% 90.00%
CHEMBL2535 P11166 Glucose transporter 90.06% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.47% 94.45%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.34% 95.50%
CHEMBL3194 P02766 Transthyretin 88.02% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.49% 95.56%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 86.07% 89.33%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.77% 96.95%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 85.02% 96.67%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.61% 89.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.65% 90.71%
CHEMBL3437 Q16853 Amine oxidase, copper containing 81.62% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 80.12% 94.73%

Cross-Links

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PubChem 125213
LOTUS LTS0240896
wikiData Q105183185