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CHEBI:28671 - cuminaldehyde

ChEBI IDCHEBI:28671
ChEBI Namecuminaldehyde
Stars
DefinitionA member of the class of benzaldehydes that is benzaldehyde substituted by an isopropyl group at position 4. It is a component of essential oils from Cumin and exhibits insecticidal activities.
Secondary ChEBI IDsCHEBI:10623, CHEBI:25824
Last Modified11 July 2020
DownloadsMolfile
FormulaC10H12O
Net Charge0
Average Mass148.205
Monoisotopic Mass148.08882
SMILES[H]C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChIKeyWTWBUQJHJGUZCY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
Application:
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
ChEBI Ontology
Outgoing Relation(s)
cuminaldehyde (CHEBI:28671) has parent hydride cumene (CHEBI:34656)
cuminaldehyde (CHEBI:28671) has role insecticide (CHEBI:24852)
cuminaldehyde (CHEBI:28671) has role plant metabolite (CHEBI:76924)
cuminaldehyde (CHEBI:28671) has role volatile oil component (CHEBI:27311)
cuminaldehyde (CHEBI:28671) is a benzaldehydes (CHEBI:22698)
IUPAC Name 
4-(propan-2-yl)benzaldehyde
Synonyms  Source
p-Cumic aldehydeKEGG COMPOUND
Cumic aldehydeChemIDplus
p-IsopropylbenzenecarboxaldehydeChemIDplus
p-IsopropylbenzaldehydeChemIDplus
4-IsopropylbenzaldehydeChemIDplus
Cuminyl aldehydeChemIDplus
UniProt Name  Source
4-isopropylbenzaldehydeUniProt
Manual XrefsDatabases
C06577KEGG COMPOUND
CuminaldehydeWikipedia
HMDB0002214HMDB
CPD-1003MetaCyc
C00003039KNApSAcK
Registry NumbersSources
Reaxys:636547Reaxys
CAS:122-03-2KEGG COMPOUND
CAS:122-03-2ChemIDplus
Citations