2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]benzamide

Details

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Internal ID bbed646c-06fa-4c8a-81fc-cff0bf6b9bfe
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives > Salicylamides
IUPAC Name 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SMILES (Canonical) CC(CO)NC(=O)C1=CC=CC=C1O
SMILES (Isomeric) C[C@H](CO)NC(=O)C1=CC=CC=C1O
InChI InChI=1S/C10H13NO3/c1-7(6-12)11-10(14)8-4-2-3-5-9(8)13/h2-5,7,12-13H,6H2,1H3,(H,11,14)/t7-/m1/s1
InChI Key ATSKSNBYTZUJRU-SSDOTTSWSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C10H13NO3
Molecular Weight 195.21 g/mol
Exact Mass 195.08954328 g/mol
Topological Polar Surface Area (TPSA) 69.60 Ų
XlogP 1.10

Synonyms

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2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CHEMBL4063531
EBC-12255
AKOS017578627
(R)-(-)-N-salicyloyl-2-aminopropan-1-ol
EN300-5096882

2D Structure

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2D Structure of 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]benzamide

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 96.95% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 92.53% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.16% 91.11%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 90.05% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.86% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.68% 96.09%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.69% 93.56%
CHEMBL2321614 Q9NPC2 Potassium channel subfamily K member 9 83.45% 80.00%
CHEMBL2535 P11166 Glucose transporter 82.61% 98.75%
CHEMBL3308 P55212 Caspase-6 81.67% 97.56%
CHEMBL221 P23219 Cyclooxygenase-1 80.87% 90.17%
CHEMBL4040 P28482 MAP kinase ERK2 80.80% 83.82%

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 79030909
LOTUS LTS0075829
wikiData Q104918648