N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide

Details

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Internal ID 4be0c3a1-300f-4300-9fdc-d39973b2cb11
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzamides
IUPAC Name N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(18)11-17-16(19)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)/t15-/m0/s1
InChI Key NICURWGAEFHESQ-HNNXBMFYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C16H17NO3
Molecular Weight 271.31 g/mol
Exact Mass 271.12084340 g/mol
Topological Polar Surface Area (TPSA) 58.60 Ų
XlogP 2.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]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
CHEMBL221 P23219 Cyclooxygenase-1 97.60% 90.17%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.54% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.69% 96.09%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 95.54% 87.67%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 94.65% 81.11%
CHEMBL4208 P20618 Proteasome component C5 94.32% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.60% 95.56%
CHEMBL2581 P07339 Cathepsin D 92.00% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.02% 91.11%
CHEMBL2535 P11166 Glucose transporter 90.62% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.98% 99.17%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 89.77% 96.67%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 89.01% 89.33%
CHEMBL3902 P09211 Glutathione S-transferase Pi 87.38% 93.81%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.28% 96.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 86.25% 91.07%
CHEMBL4040 P28482 MAP kinase ERK2 86.01% 83.82%
CHEMBL240 Q12809 HERG 83.15% 89.76%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 82.27% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 80.54% 94.73%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Clausena brevistyla
Feroniella lucida
Philotheca tomentella
Zanthoxylum fagara

Cross-Links

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PubChem 10084553
LOTUS LTS0096151
wikiData Q105179741