(Z)-tetradec-3-enenitrile

Details

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Internal ID 8e265a32-1ba6-433b-9c8a-125a23205ad6
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Organic cyanides > Nitriles
IUPAC Name (Z)-tetradec-3-enenitrile
SMILES (Canonical) CCCCCCCCCCC=CCC#N
SMILES (Isomeric) CCCCCCCCCC/C=C\CC#N
InChI InChI=1S/C14H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h11-12H,2-10,13H2,1H3/b12-11-
InChI Key HEWPEBKRWNEZJD-QXMHVHEDSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C14H25N
Molecular Weight 207.35 g/mol
Exact Mass 207.198699802 g/mol
Topological Polar Surface Area (TPSA) 23.80 Ų
XlogP 5.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (Z)-tetradec-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
CHEMBL230 P35354 Cyclooxygenase-2 97.40% 89.63%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 95.99% 92.08%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.08% 99.17%
CHEMBL2039 P27338 Monoamine oxidase B 92.24% 92.51%
CHEMBL2581 P07339 Cathepsin D 91.98% 98.95%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 90.71% 92.86%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 87.77% 91.81%
CHEMBL1781 P11387 DNA topoisomerase I 87.64% 97.00%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 87.26% 95.58%
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 86.93% 90.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.80% 96.09%
CHEMBL240 Q12809 HERG 85.83% 89.76%
CHEMBL1907 P15144 Aminopeptidase N 84.72% 93.31%
CHEMBL1871 P10275 Androgen Receptor 84.52% 96.43%
CHEMBL5979 P05186 Alkaline phosphatase, tissue-nonspecific isozyme 84.51% 85.40%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.84% 96.95%
CHEMBL2885 P07451 Carbonic anhydrase III 82.24% 87.45%
CHEMBL221 P23219 Cyclooxygenase-1 81.77% 90.17%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 81.46% 85.94%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 81.25% 89.34%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 81.10% 94.80%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 80.40% 97.29%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.07% 96.00%

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 102025896
LOTUS LTS0236958
wikiData Q105027088