(Z)-12-methyltetradec-3-enenitrile

Details

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Internal ID 231110ba-ff39-4a39-b1d7-b1cf48dbe512
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Organic cyanides > Nitriles
IUPAC Name (Z)-12-methyltetradec-3-enenitrile
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H27N/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16/h8,10,15H,3-7,9,11-13H2,1-2H3/b10-8-
InChI Key MCWXJMCJFPSWBN-NTMALXAHSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H27N
Molecular Weight 221.38 g/mol
Exact Mass 221.214349865 g/mol
Topological Polar Surface Area (TPSA) 23.80 Ų
XlogP 6.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (Z)-12-methyltetradec-3-enenitrile

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
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 94.26% 95.58%
CHEMBL2581 P07339 Cathepsin D 93.01% 98.95%
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 92.34% 90.75%
CHEMBL3837 P07711 Cathepsin L 91.03% 96.61%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.49% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.04% 96.09%
CHEMBL3975 P09467 Fructose-1,6-bisphosphatase 88.77% 92.95%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 88.50% 89.34%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 85.85% 96.47%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.78% 96.00%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 85.04% 92.86%
CHEMBL2885 P07451 Carbonic anhydrase III 84.97% 87.45%
CHEMBL1907 P15144 Aminopeptidase N 84.36% 93.31%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.93% 93.99%
CHEMBL2039 P27338 Monoamine oxidase B 83.85% 92.51%
CHEMBL230 P35354 Cyclooxygenase-2 83.36% 89.63%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.95% 93.56%
CHEMBL202 P00374 Dihydrofolate reductase 82.79% 89.92%
CHEMBL1871 P10275 Androgen Receptor 82.70% 96.43%
CHEMBL221 P23219 Cyclooxygenase-1 82.25% 90.17%
CHEMBL1781 P11387 DNA topoisomerase I 81.86% 97.00%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 80.30% 96.38%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 139591509
LOTUS LTS0077329
wikiData Q105161508