N-[3-(2-amino-4-hydroxyphenyl)-3-oxopropyl]acetamide

Details

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Internal ID 6133f5e6-5d95-4b88-8ae1-3d2d9bbbf6ba
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
IUPAC Name N-[3-(2-amino-4-hydroxyphenyl)-3-oxopropyl]acetamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H14N2O3/c1-7(14)13-5-4-11(16)9-3-2-8(15)6-10(9)12/h2-3,6,15H,4-5,12H2,1H3,(H,13,14)
InChI Key BKWKNAKWUCABSK-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C11H14N2O3
Molecular Weight 222.24 g/mol
Exact Mass 222.10044231 g/mol
Topological Polar Surface Area (TPSA) 92.40 Ų
XlogP 0.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-[3-(2-amino-4-hydroxyphenyl)-3-oxopropyl]acetamide

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 96.93% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.69% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.04% 98.95%
CHEMBL4040 P28482 MAP kinase ERK2 92.23% 83.82%
CHEMBL4208 P20618 Proteasome component C5 89.64% 90.00%
CHEMBL3401 O75469 Pregnane X receptor 89.42% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.21% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.54% 99.17%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 84.91% 93.10%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.40% 90.71%

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 102009523
LOTUS LTS0079355
wikiData Q104937816