CHEBI:8240 - piperonal

ChEBI IDCHEBI:8240
ChEBI Namepiperonal
Stars
DefinitionAn arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum.
Last Modified24 September 2021
DownloadsMolfile
FormulaC8H6O3
Net Charge0
Average Mass150.133
Monoisotopic Mass150.03169
SMILES[H]C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
InChIKeySATCULPHIDQDRE-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
insect repellent  An insecticide that acts as a repellent to insects.
ChEBI Ontology
Outgoing Relation(s)
piperonal (CHEBI:8240) has role fragrance (CHEBI:48318)
piperonal (CHEBI:8240) has role insect repellent (CHEBI:71692)
piperonal (CHEBI:8240) has role plant metabolite (CHEBI:76924)
piperonal (CHEBI:8240) is a arenecarbaldehyde (CHEBI:33855)
piperonal (CHEBI:8240) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1,3-benzodioxole-5-carbaldehyde
Synonyms  Source
PiperonalKEGG COMPOUND
1,3-benzodioxole-5-carboxaldehydeNIST Chemistry WebBook
piperonaldehydeNIST Chemistry WebBook
piperonylaldehydeNIST Chemistry WebBook
3,4-(methylenedioxy)benzaldehydeNIST Chemistry WebBook
3,4-dihydroxybenzaldehyde methylene ketalNIST Chemistry WebBook
UniProt Name  Source
piperonalUniProt
Manual XrefsDatabases
C10812KEGG COMPOUND
HMDB0032612HMDB
PiperonalWikipedia
WO0157016Patent
EP1253147Patent
EP0429316Patent
C00002666KNApSAcK
Registry NumbersSources
Gmelin:4186Gmelin
Reaxys:131691Reaxys
CAS:120-57-0KEGG COMPOUND
CAS:120-57-0NIST Chemistry WebBook
CAS:120-57-0ChemIDplus
Citations