Summary

IMPPAT Phytochemical identifier: IMPHY010573

Phytochemical name: (2e,6e,8e)-n-(2-Methylpropyl)-2,6,8-decatrienamide

Synonymous chemical names:
n-isobutyl-2,6,8-decatrienamide (spilanthol), spilanthol

External chemical identifiers:
CID:11506817, ZINC:ZINC000096328572, FDASRS:6K2O4RQ57D, SureChEMBL:SCHEMBL614839

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Chemical structure information

SMILES:
C/C=C/C=C/CC/C=C/C(=O)NCC(C)C

InChI:
InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,15,16)/b5-4+,7-6+,11-10+

InChIKey:
BXOCHUWSGYYSFW-RXTMUMTRSA-N

DeepSMILES:
C/C=C/C=C/CC/C=C/C=O)NCCC)C

Functional groups:
C/C=C/C(=O)NC, C/C=C/C=C/C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty amides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty amides

NP Classifier Class: N-acyl amines

NP-Likeness score: 1.139

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Chemical structure download