N-(2-Methylpropyl)deca-2,4,8-trienamide

Details

• Internal ID: cfa9f20a-e111-4e92-9cc7-29930697ced6
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
• IUPAC Name: N-(2-methylpropyl)deca-2,4,8-trienamide
• SMILES (Canonical): CC=CCCC=CC=CC(=O)NCC(C)C
• SMILES (Isomeric): CC=CCCC=CC=CC(=O)NCC(C)C
• InChI: InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-5,8-11,13H,6-7,12H2,1-3H3,(H,15,16)
• InChI Key: OCUXKVCDBHKIIP-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₃NO
• Molecular Weight: 221.34 g/mol
• Exact Mass: 221.177964357 g/mol
• Topological Polar Surface Area (TPSA): 29.10 Ų
• XlogP: 3.60

Synonyms

• 52657-13-3
• DTXSID30788960

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	92.92%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.79%	96.09%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	89.46%	89.34%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	86.59%	95.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.24%	99.17%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	86.17%	100.00%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	84.28%	97.29%
CHEMBL3401	O75469	Pregnane X receptor	84.03%	94.73%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	82.99%	94.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.75%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	82.14%	83.82%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.29%	94.45%

Plants that contains it

• Achillea falcata
• Achillea macrophylla
• Achillea millefolium
• Achillea spinulifolia
• Asarum sieboldii

Cross-Links

• PubChem: 71365553
• LOTUS: LTS0134156
• wikiData: Q82756042