Pentadecanenitrile

Details

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Internal ID d1ba2229-72c5-4193-8703-4cde98d3fbbf
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Organic cyanides > Nitriles
IUPAC Name pentadecanenitrile
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-14H2,1H3
InChI Key KRKQHNVYOWTEQO-UHFFFAOYSA-N
Popularity 19 references in papers

Physical and Chemical Properties

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Molecular Formula C15H29N
Molecular Weight 223.40 g/mol
Exact Mass 223.229999929 g/mol
Topological Polar Surface Area (TPSA) 23.80 Ų
XlogP 6.40

Synonyms

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18300-91-9
n-Pentadecanonitrile
Pentadecanonitrile
Tetradecyl cyanide
pentadecannitril
Pentadecanitrile
Myristyl Cyanide
EINECS 242-184-7
SCHEMBL60022
DTXSID50171375
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Pentadecanenitrile

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
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 95.74% 92.86%
CHEMBL230 P35354 Cyclooxygenase-2 95.40% 89.63%
CHEMBL2581 P07339 Cathepsin D 93.25% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.84% 92.08%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 91.12% 85.94%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.00% 96.09%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 89.35% 95.17%
CHEMBL1907 P15144 Aminopeptidase N 88.96% 93.31%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 87.95% 91.81%
CHEMBL2885 P07451 Carbonic anhydrase III 87.81% 87.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 87.13% 97.29%
CHEMBL2996 Q05655 Protein kinase C delta 87.11% 97.79%
CHEMBL1871 P10275 Androgen Receptor 86.70% 96.43%
CHEMBL3837 P07711 Cathepsin L 85.33% 96.61%
CHEMBL221 P23219 Cyclooxygenase-1 85.05% 90.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.74% 99.17%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 82.49% 94.80%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 82.07% 90.24%
CHEMBL5979 P05186 Alkaline phosphatase, tissue-nonspecific isozyme 81.83% 85.40%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.61% 100.00%

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 87568
LOTUS LTS0072363
wikiData Q83041453