N-(2-oxooxolan-3-yl)tetradecanamide

Details

Top
Internal ID b5e7f33f-dc5d-46b0-b4b0-798c464c7b37
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives
IUPAC Name N-(2-oxooxolan-3-yl)tetradecanamide
SMILES (Canonical) CCCCCCCCCCCCCC(=O)NC1CCOC1=O
SMILES (Isomeric) CCCCCCCCCCCCCC(=O)NC1CCOC1=O
InChI InChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h16H,2-15H2,1H3,(H,19,20)
InChI Key ZQAYHOXXVBVXPZ-UHFFFAOYSA-N
Popularity 13 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H33NO3
Molecular Weight 311.50 g/mol
Exact Mass 311.24604391 g/mol
Topological Polar Surface Area (TPSA) 55.40 Ų
XlogP 5.90

Synonyms

Top
N-(2-oxooxolan-3-yl)tetradecanamide
N-(2-Oxotetrahydrofuran-3-yl)tetradecanamide
Tetradecanamide, N-(tetrahydro-2-oxo-3-furanyl)-
N-Myristoyl-DL-homoserine lactone
C14-homoserine lactone
SCHEMBL15904708
DTXSID00404029
CHEBI:181696
ZQAYHOXXVBVXPZ-UHFFFAOYSA-N
Homoserine lactone, N-tetradecanoyl-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of N-(2-oxooxolan-3-yl)tetradecanamide

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL3060 Q9Y345 Glycine transporter 2 96.09% 99.17%
CHEMBL230 P35354 Cyclooxygenase-2 95.81% 89.63%
CHEMBL2581 P07339 Cathepsin D 95.67% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.03% 91.11%
CHEMBL5255 O00206 Toll-like receptor 4 91.20% 92.50%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.01% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.65% 97.25%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 86.33% 92.08%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.69% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.14% 94.45%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.60% 99.23%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.43% 100.00%
CHEMBL299 P17252 Protein kinase C alpha 82.12% 98.03%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.09% 94.33%
CHEMBL4588 P22894 Matrix metalloproteinase 8 80.82% 94.66%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.81% 95.50%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 80.06% 92.88%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 4534674
LOTUS LTS0237317
wikiData Q82207983