N-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide

Details

• Internal ID: 8b67f6f8-831a-41d7-95a7-044919f9f448
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
• IUPAC Name: N-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienamide
• SMILES (Canonical): CCC(=O)CCC=CCCC=CC=CC(=O)NCC(C)C
• SMILES (Isomeric): CCC(=O)CCC=CCCC=CC=CC(=O)NCC(C)C
• InChI: InChI=1S/C18H29NO2/c1-4-17(20)13-11-9-7-5-6-8-10-12-14-18(21)19-15-16(2)3/h7-10,12,14,16H,4-6,11,13,15H2,1-3H3,(H,19,21)
• InChI Key: FUSIHPXPVQSRQH-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₉NO₂
• Molecular Weight: 291.40 g/mol
• Exact Mass: 291.219829168 g/mol
• Topological Polar Surface Area (TPSA): 46.20 Ų
• XlogP: 3.60

Synonyms

There are no found synonyms.

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	94.80%	98.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	92.94%	89.34%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.68%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.45%	99.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.65%	97.29%
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	87.81%	95.71%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	87.28%	100.00%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	85.50%	96.38%
CHEMBL3401	O75469	Pregnane X receptor	83.06%	94.73%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	82.77%	94.33%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	81.93%	97.21%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	80.89%	96.47%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.60%	91.11%

Plants that contains it

• Zanthoxylum integrifoliolum

Cross-Links

• PubChem: 78385194
• LOTUS: LTS0199017
• wikiData: Q105001980