N-(2-(4-Hydroxyphenyl)ethyl)-3-phenylprop-2-enamide

Details

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Internal ID ced21bc2-98d6-4904-947a-aff2faaa4d7d
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid amides
IUPAC Name N-[2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H17NO2/c19-16-9-6-15(7-10-16)12-13-18-17(20)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,18,20)
InChI Key KGOYCHSKGXJDND-UHFFFAOYSA-N
Popularity 22 references in papers

Physical and Chemical Properties

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Molecular Formula C17H17NO2
Molecular Weight 267.32 g/mol
Exact Mass 267.125928785 g/mol
Topological Polar Surface Area (TPSA) 49.30 Ų
XlogP 3.10

Synonyms

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SCHEMBL7380044
DTXSID30342001
AKOS030753988

2D Structure

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2D Structure of N-(2-(4-Hydroxyphenyl)ethyl)-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 96.49% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.13% 91.11%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 92.47% 96.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.16% 86.33%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 89.59% 89.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.23% 99.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 87.70% 95.50%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.07% 96.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 87.02% 94.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.97% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.54% 96.00%
CHEMBL2563 Q9UQL6 Histone deacetylase 5 86.09% 89.67%
CHEMBL3401 O75469 Pregnane X receptor 80.42% 94.73%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 577698
LOTUS LTS0124802
wikiData Q82112525