(Z)-14-methylpentadec-3-enenitrile

Details

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Internal ID 33a9ef80-299a-46ec-9562-020cbc5e318d
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Organic cyanides > Nitriles
IUPAC Name (Z)-14-methylpentadec-3-enenitrile
SMILES (Canonical) CC(C)CCCCCCCCCC=CCC#N
SMILES (Isomeric) CC(C)CCCCCCCCC/C=C\CC#N
InChI InChI=1S/C16H29N/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h9,11,16H,3-8,10,12-14H2,1-2H3/b11-9-
InChI Key NYXFTJGURNRCKM-LUAWRHEFSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H29N
Molecular Weight 235.41 g/mol
Exact Mass 235.229999929 g/mol
Topological Polar Surface Area (TPSA) 23.80 Ų
XlogP 6.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (Z)-14-methylpentadec-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
CHEMBL2039 P27338 Monoamine oxidase B 94.81% 92.51%
CHEMBL3975 P09467 Fructose-1,6-bisphosphatase 93.19% 92.95%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 93.19% 95.58%
CHEMBL2581 P07339 Cathepsin D 91.90% 98.95%
CHEMBL1907 P15144 Aminopeptidase N 90.85% 93.31%
CHEMBL3837 P07711 Cathepsin L 90.83% 96.61%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.04% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.87% 96.09%
CHEMBL230 P35354 Cyclooxygenase-2 88.51% 89.63%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 86.38% 96.47%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.56% 96.00%
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 85.38% 90.75%
CHEMBL2885 P07451 Carbonic anhydrase III 84.41% 87.45%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.22% 93.99%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.11% 93.56%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 82.02% 94.80%
CHEMBL1871 P10275 Androgen Receptor 81.21% 96.43%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 80.27% 96.25%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 80.01% 89.34%

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 139591513
LOTUS LTS0217415
wikiData Q105187757