Summary

IMPPAT Phytochemical identifier: IMPHY005551

Phytochemical name: 2,4-Heptadienal

Synonymous chemical names:
(e)-2,(e)-4-heptadienal, (e,e)-2,4-heptadienal, (e,e)-2-4-hexadienal, 2,4-heptadienal, 2,4-heptadienal, (e,e)-, 2-4 heptadienal, 2e,4e-heptadienal, ee-24-heptadienal

External chemical identifiers:
CID:5283321, ChEMBL:CHEMBL2269080, ChEBI:132837, ZINC:ZINC000002567938, FDASRS:VY79R3SU8X, SureChEMBL:SCHEMBL231267, MolPort-001-769-755

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Chemical structure information

SMILES:
CC/C=C/C=C/C=O

InChI:
InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+

InChIKey:
SATICYYAWWYRAM-VNKDHWASSA-N

DeepSMILES:
CC/C=C/C=C/C=O

Functional groups:
C/C=C/C=C/C=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: 2.579

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Chemical structure download