CHEBI:28671 - cuminaldehyde

Main ChEBI Ontology Automatic Xrefs
ChEBI Name cuminaldehyde
ChEBI ID CHEBI:28671
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:25824, CHEBI:10623
Supplier Information
Save molfile Download Molfile
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C10H12O
Net Charge 0
Average Mass 148.20170
InChI InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChIKey WTWBUQJHJGUZCY-UHFFFAOYSA-N
SMILES CC(C)c1ccc(C=O)cc1
Roles Classification
Biological Role(s): volatile oil component
Any metabolite that is found naturally as a component of a volatile oil.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
4-Isopropylbenzaldehyde ChemIDplus
Cumaldehyde ChemIDplus
Cumic aldehyde ChemIDplus
Cuminic aldehyde ChemIDplus
Cuminyl aldehyde ChemIDplus
p-Cumic aldehyde KEGG COMPOUND
p-Cumic aldehyde KEGG COMPOUND
p-Isopropylbenzaldehyde ChemIDplus
p-Isopropylbenzenecarboxaldehyde ChemIDplus
Database Links Databases
C00003039 KNApSAcK
C06577 KEGG COMPOUND
CPD-1003 MetaCyc
Cuminaldehyde Wikipedia
HMDB02214 HMDB
View more database links
Registry Numbers Types Sources
122-03-2 CAS Registry Number KEGG COMPOUND
122-03-2 CAS Registry Number ChemIDplus
636547 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
21338771 PubMed citation CiteXplore
22746406 PubMed citation CiteXplore
23507295 PubMed citation CiteXplore
23564737 PubMed citation CiteXplore
23865423 PubMed citation CiteXplore
24507878 PubMed citation CiteXplore
Last Modified
28 July 2014