Acetaminophen

Details

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Internal ID 1e4d6b99-1987-4ead-9982-cb60db84a02f
Taxonomy Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
IUPAC Name N-(4-hydroxyphenyl)acetamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
InChI Key RZVAJINKPMORJF-UHFFFAOYSA-N
Popularity 77,591 references in papers

Physical and Chemical Properties

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Molecular Formula C8H9NO2
Molecular Weight 151.16 g/mol
Exact Mass 151.063328530 g/mol
Topological Polar Surface Area (TPSA) 49.30 Ų
XlogP 0.50

Synonyms

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Paracetamol
4-Acetamidophenol
103-90-2
Tylenol
N-(4-Hydroxyphenyl)acetamide
APAP
Panadol
N-Acetyl-p-aminophenol
4'-Hydroxyacetanilide
Acetaminofen
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Acetaminophen

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
CHEMBL1963 P16473 Thyroid stimulating hormone receptor 158.5 nM
Potency
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3401 O75469 Pregnane X receptor 92.21% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.46% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.06% 95.56%
CHEMBL4973 P43004 Excitatory amino acid transporter 2 83.91% 98.75%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 83.67% 94.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.63% 94.45%
CHEMBL340 P08684 Cytochrome P450 3A4 82.94% 91.19%
CHEMBL3085 P43003 Excitatory amino acid transporter 1 82.51% 94.67%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 82.02% 97.21%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 81.86% 93.10%

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 1983
LOTUS LTS0083713
wikiData Q57055