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Syncarpamide

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 4b49ed55-e865-47b6-afc6-87cfa030b9ca
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters
IUPAC Name [(1S)-1-(3,4-dimethoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl] (E)-3-phenylprop-2-enoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H27NO5/c1-32-24-16-15-23(19-25(24)33-2)26(34-28(31)18-14-22-11-7-4-8-12-22)20-29-27(30)17-13-21-9-5-3-6-10-21/h3-19,26H,20H2,1-2H3,(H,29,30)/b17-13+,18-14+/t26-/m1/s1
InChI Key CUXXAUBWEIJETF-AMVLLGRPSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C28H27NO5
Molecular Weight 457.50 g/mol
Exact Mass 457.18892296 g/mol
Topological Polar Surface Area (TPSA) 73.90 Ų
XlogP 5.10

Synonyms

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CHEBI:66539
((1S)-1-(3,4-dimethoxyphenyl)-2-(((E)-3-phenylprop-2-enoyl)amino)ethyl) (E)-3-phenylprop-2-enoate
[(1S)-1-(3,4-dimethoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl] (E)-3-phenylprop-2-enoate
RefChem:186987
656801-38-6
CHEMBL458478
SCHEMBL20875659
Q27135147
(1S)-1-(3,4-dimethoxyphenyl)-2-{[(2E)-3-phenylprop-2-enoyl]amino}ethyl (2E)-3-phenylprop-2-enoate

2D Structure

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2D Structure of Syncarpamide

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
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 98.46% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 97.35% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.84% 96.09%
CHEMBL2581 P07339 Cathepsin D 96.49% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.14% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.02% 95.56%
CHEMBL1255126 O15151 Protein Mdm4 93.97% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.30% 99.17%
CHEMBL2535 P11166 Glucose transporter 88.42% 98.75%
CHEMBL4208 P20618 Proteasome component C5 86.64% 90.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 84.58% 95.50%
CHEMBL5028 O14672 ADAM10 83.61% 97.50%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 82.93% 89.62%
CHEMBL3401 O75469 Pregnane X receptor 80.62% 94.73%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.14% 96.95%

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.
Zanthoxylum syncarpum

Cross-Links

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PubChem 11753871
NPASS NPC182119
ChEMBL CHEMBL458478
LOTUS LTS0200650
wikiData Q27135147