N-(2-Methylpropyl)octa-2,4-dienimidic acid

Details

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Internal ID 59ad1245-5986-414b-a10b-075cb824d6d2
Taxonomy Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids
IUPAC Name N-(2-methylpropyl)octa-2,4-dienamide
SMILES (Canonical) CCCC=CC=CC(=O)NCC(C)C
SMILES (Isomeric) CCCC=CC=CC(=O)NCC(C)C
InChI InChI=1S/C12H21NO/c1-4-5-6-7-8-9-12(14)13-10-11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,13,14)
InChI Key VZASTVPVPUAAJK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C12H21NO
Molecular Weight 195.30 g/mol
Exact Mass 195.162314293 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 3.30

Synonyms

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N-(2-Methylpropyl)octa-2,4-dienimidic acid

2D Structure

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2D Structure of N-(2-Methylpropyl)octa-2,4-dienimidic acid

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 94.30% 98.95%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 92.17% 89.34%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.41% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 88.57% 97.29%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 87.43% 96.38%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 87.15% 100.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.95% 99.17%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 84.09% 95.71%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.78% 93.56%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.77% 94.33%
CHEMBL221 P23219 Cyclooxygenase-1 82.06% 90.17%
CHEMBL3401 O75469 Pregnane X receptor 81.68% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.77% 94.45%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.60% 96.47%

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 nigrum
Piper sarmentosum
Zanthoxylum zanthoxyloides

Cross-Links

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PubChem 579797
LOTUS LTS0002796
wikiData Q82923768