Z-Antiepilepsirine

Details

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Internal ID bcc9acb9-5985-402f-96bb-cd31cf80ca11
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives
IUPAC Name (Z)-3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylprop-2-en-1-one
SMILES (Canonical) C1CCN(CC1)C(=O)C=CC2=CC3=C(C=C2)OCO3
SMILES (Isomeric) C1CCN(CC1)C(=O)/C=C\C2=CC3=C(C=C2)OCO3
InChI InChI=1S/C15H17NO3/c17-15(16-8-2-1-3-9-16)7-5-12-4-6-13-14(10-12)19-11-18-13/h4-7,10H,1-3,8-9,11H2/b7-5-
InChI Key BLPUOQGPBJPXRL-ALCCZGGFSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H17NO3
Molecular Weight 259.30 g/mol
Exact Mass 259.12084340 g/mol
Topological Polar Surface Area (TPSA) 38.80 Ų
XlogP 2.80

Synonyms

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Z-Antiepilepsirine
EN300-27121317
(2Z)-3-(1,3-dioxaindan-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one

2D Structure

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2D Structure of Z-Antiepilepsirine

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
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.47% 86.33%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 93.76% 96.77%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.26% 94.45%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 91.77% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.31% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.92% 89.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.65% 91.11%
CHEMBL2581 P07339 Cathepsin D 90.17% 98.95%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 89.60% 83.57%
CHEMBL4208 P20618 Proteasome component C5 86.53% 90.00%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 85.46% 90.24%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.02% 96.09%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.54% 90.71%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 80.72% 94.80%

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.
Piper capense
Piper nigrum

Cross-Links

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PubChem 21580212
LOTUS LTS0233107
wikiData Q104938087