13-Methyltetradecanenitrile

Details

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Internal ID fe38f23f-5bba-486a-afca-71d15f29652e
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Organic cyanides > Nitriles
IUPAC Name 13-methyltetradecanenitrile
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H29N/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h15H,3-13H2,1-2H3
InChI Key PXOOGEZSAPLDJY-UHFFFAOYSA-N
Popularity 2 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 6.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 13-Methyltetradecanenitrile

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
CHEMBL3837 P07711 Cathepsin L 94.50% 96.61%
CHEMBL1907 P15144 Aminopeptidase N 91.40% 93.31%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.14% 96.09%
CHEMBL2581 P07339 Cathepsin D 90.85% 98.95%
CHEMBL2885 P07451 Carbonic anhydrase III 89.42% 87.45%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 85.69% 95.58%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 85.24% 92.86%
CHEMBL230 P35354 Cyclooxygenase-2 85.18% 89.63%
CHEMBL1871 P10275 Androgen Receptor 84.80% 96.43%
CHEMBL2996 Q05655 Protein kinase C delta 84.20% 97.79%
CHEMBL226 P30542 Adenosine A1 receptor 82.47% 95.93%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 82.31% 94.80%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 81.72% 96.38%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 81.44% 95.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 80.50% 97.29%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.17% 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 139591511
LOTUS LTS0221568
wikiData Q104195517