(E)-3-methylsulfanyl-N-phenethylprop-2-enamide

Details

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Internal ID 04ad5308-9144-4c37-9343-942f21f18908
Taxonomy Benzenoids > Benzene and substituted derivatives
IUPAC Name (E)-3-methylsulfanyl-N-(2-phenylethyl)prop-2-enamide
SMILES (Canonical) CSC=CC(=O)NCCC1=CC=CC=C1
SMILES (Isomeric) CS/C=C/C(=O)NCCC1=CC=CC=C1
InChI InChI=1S/C12H15NOS/c1-15-10-8-12(14)13-9-7-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H,13,14)/b10-8+
InChI Key INUPOERVCMJSKS-CSKARUKUSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C12H15NOS
Molecular Weight 221.32 g/mol
Exact Mass 221.08743528 g/mol
Topological Polar Surface Area (TPSA) 54.40 Ų
XlogP 2.20

Synonyms

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(2E)-3-(methylsulfanyl)-N-(2-phenylethyl)-2-propenamide

2D Structure

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2D Structure of (E)-3-methylsulfanyl-N-phenethylprop-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 97.61% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 95.30% 90.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.52% 96.09%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 87.36% 96.67%
CHEMBL3401 O75469 Pregnane X receptor 86.42% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.32% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.13% 95.56%
CHEMBL2039 P27338 Monoamine oxidase B 85.95% 92.51%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.37% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.02% 99.17%
CHEMBL5028 O14672 ADAM10 84.19% 97.50%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.07% 95.50%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 82.14% 89.33%
CHEMBL4208 P20618 Proteasome component C5 81.86% 90.00%

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.
Glycosmis cyanocarpa

Cross-Links

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PubChem 10966074
LOTUS LTS0080317
wikiData Q105116411