Summary

IMPPAT Phytochemical identifier: IMPHY015683

Phytochemical name: 2,4-Octadienal, (E,Z)-

Synonymous chemical names:
(e,z)-2,4-octadienal

External chemical identifiers:
CID:5352875, FDASRS:JYH5H5F54D, SureChEMBL:SCHEMBL1172622

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Chemical structure information

SMILES:
CCC/C=CC=CC=O

InChI:
InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4-,7-6+

InChIKey:
DVVATNQISMINCX-SCFJQAPRSA-N

DeepSMILES:
CCC/C=CC=CC=O

Functional groups:
C/C=CC=CC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 2.406

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Chemical structure download