Summary

IMPPAT Phytochemical identifier: IMPHY011593

Phytochemical name: Pellitorine

Synonymous chemical names:
(e,e)-n-(2-methylpropyl)-2,4-decadienamide, (e,e)-pellitorine, deca-trans-2,trans-4-dienamide, n-isobutyl, deca-trans-2-trans-4-dienamide, n-isobutyl, n-isobutyl-2e,4e-decadienamide, n-isobutyldeca-trans-2-trans-4-dienamide, pellitorine

External chemical identifiers:
CID:5318516, ChEMBL:CHEMBL271242, ChEBI:69686, ZINC:ZINC000013838505, FDASRS:8IS5231171, SureChEMBL:SCHEMBL258097, MolPort-001-740-217

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Chemical structure information

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

InChI:
InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+

InChIKey:
MAGQQZHFHJDIRE-BNFZFUHLSA-N

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

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

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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: 1.055

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Chemical structure download