(e)-1-[3-(6-Methoxy-1,3-benzodioxol-5-yl)-1-oxo-2-propenyl]-piperidine

Details

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Internal ID f1ba8d08-8221-4152-b672-1ab2f4c0c74a
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives
IUPAC Name (E)-3-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-ylprop-2-en-1-one
SMILES (Canonical) COC1=CC2=C(C=C1C=CC(=O)N3CCCCC3)OCO2
SMILES (Isomeric) COC1=CC2=C(C=C1/C=C/C(=O)N3CCCCC3)OCO2
InChI InChI=1S/C16H19NO4/c1-19-13-10-15-14(20-11-21-15)9-12(13)5-6-16(18)17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8,11H2,1H3/b6-5+
InChI Key GSXSXXLLZHMJDP-AATRIKPKSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H19NO4
Molecular Weight 289.33 g/mol
Exact Mass 289.13140809 g/mol
Topological Polar Surface Area (TPSA) 48.00 Ų
XlogP 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (e)-1-[3-(6-Methoxy-1,3-benzodioxol-5-yl)-1-oxo-2-propenyl]-piperidine

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
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 96.68% 96.77%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.11% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.08% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.34% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 93.88% 96.00%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 93.57% 83.57%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.79% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.16% 85.14%
CHEMBL2581 P07339 Cathepsin D 90.88% 98.95%
CHEMBL2413 P32246 C-C chemokine receptor type 1 90.23% 89.50%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.23% 91.11%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 86.48% 92.62%
CHEMBL4208 P20618 Proteasome component C5 84.80% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.48% 89.00%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 82.74% 90.24%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.64% 90.71%
CHEMBL5028 O14672 ADAM10 80.05% 97.50%

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 amalago

Cross-Links

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PubChem 21763823
LOTUS LTS0247638
wikiData Q105018184