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Smenamide C

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 59cd4613-5ea9-4aea-8758-381b6b34143f
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid imides > N-substituted carboxylic acid imides
IUPAC Name N-[(E,4Z,7R)-4-(chloromethylidene)-10-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-7,9-dimethyl-10-oxodec-8-enyl]-N-methylacetamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H39ClN2O4/c1-17(2)13-22-23(32-7)15-24(30)28(22)25(31)19(4)14-18(3)10-11-21(16-26)9-8-12-27(6)20(5)29/h14-18,22H,8-13H2,1-7H3/b19-14+,21-16+/t18-,22+/m1/s1
InChI Key VZXRJCLKLPORSH-MZNYJUHOSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C25H39ClN2O4
Molecular Weight 467.00 g/mol
Exact Mass 466.2598354 g/mol
Topological Polar Surface Area (TPSA) 66.90 Ų
XlogP 4.70

Synonyms

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N-[(E,4Z,7R)-4-(chloromethylidene)-10-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-7,9-dimethyl-10-oxodec-8-enyl]-N-methylacetamide
N-((E,4Z,7R)-4-(chloromethylidene)-10-((2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl)-7,9-dimethyl-10-oxodec-8-enyl)-N-methylacetamide
RefChem:183404
N-((R,4Z,8E)-4-(chloromethylene)-10-((S)-2-isobutyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-7,9-dimethyl-10-oxodec-8-en-1-yl)-N-methylacetamide
CHEBI:214523
DTXSID201098094

2D Structure

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2D Structure of Smenamide C

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 99.00% 96.09%
CHEMBL2581 P07339 Cathepsin D 98.51% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.19% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.42% 94.45%
CHEMBL5103 Q969S8 Histone deacetylase 10 91.00% 90.08%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.89% 99.17%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 87.92% 93.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.24% 95.56%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 86.46% 96.25%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 85.22% 92.29%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.10% 93.56%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 84.84% 95.64%
CHEMBL4227 P25090 Lipoxin A4 receptor 84.74% 100.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.98% 95.89%
CHEMBL340 P08684 Cytochrome P450 3A4 83.68% 91.19%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.82% 90.71%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.73% 94.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.70% 97.09%

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.
There are no matching plants.

Cross-Links

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PubChem 146683884
LOTUS LTS0121623
wikiData Q104246401