N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide

Details

• Internal ID: 9300f785-97cd-48fb-b7f4-9a890f6799ab
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
• IUPAC Name: N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
• SMILES (Canonical): CCC=CCC=CCCC=CC=CC(=O)NCC(C)(C)O
• SMILES (Isomeric): CCC=CCC=CCCC=CC=CC(=O)NCC(C)(C)O
• InChI: InChI=1S/C18H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h5-6,8-9,12-15,21H,4,7,10-11,16H2,1-3H3,(H,19,20)
• InChI Key: HSFPMLIZJAVYHM-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): 49.30 Ų
• XlogP: 3.50

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
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	93.91%	89.34%
CHEMBL2581	P07339	Cathepsin D	93.57%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.12%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.16%	99.17%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	85.24%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.59%	97.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.29%	86.33%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.23%	96.95%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	82.16%	94.33%
CHEMBL3401	O75469	Pregnane X receptor	80.85%	94.73%

Plants that contains it

• Zanthoxylum bungeanum
• Zanthoxylum integrifoliolum

Cross-Links

• PubChem: 53893658
• LOTUS: LTS0229803
• wikiData: Q105033017