Summary

IMPPAT Phytochemical identifier: IMPHY003723

Phytochemical name: 2,4-Decadienal

Synonymous chemical names:
(2e,4e)-2,4-decadienal, (e,e )-2,4-decadienal, (e,e)-2,4-decadienal, (e,e)-2,4-decadienol, (e.e)2-4-decadienal, (e.e.)-2-4-decadienal, 2(e), 4(e)-decadienal, 2(e), 4(z)-decadienal, 2,4-decadienal, 2e4e-deca-24-dienal, deca-2(e),4(e)-dienal, trans, trans-2,4-decadienal, trans,trans-2,4-decadienal

External chemical identifiers:
CID:5283349, ChEMBL:CHEMBL443949, ChEBI:149547, ZINC:ZINC000002014252, FDASRS:3G88X2RK09, SureChEMBL:SCHEMBL229020, MolPort-003-927-283

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Chemical structure information

SMILES:
CCCCC/C=C/C=C/C=O

InChI:
InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+

InChIKey:
JZQKTMZYLHNFPL-BLHCBFLLSA-N

DeepSMILES:
CCCCC/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: 2.328

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Chemical structure download