CHEBI:8240 - piperonal

Main ChEBI Ontology Automatic Xrefs
ChEBI Name piperonal
ChEBI ID CHEBI:8240
Definition An arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H6O3
Net Charge 0
Average Mass 150.13144
InChI InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2
InChIKey SATCULPHIDQDRE-UHFFFAOYSA-N
SMILES [H]C(=O)c1ccc2OCOc2c1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,3-benzodioxole-5-carboxaldehyde NIST Chemistry WebBook
3,4-(methylenedioxy)benzaldehyde NIST Chemistry WebBook
3,4-dihydroxybenzaldehyde methylene ketal NIST Chemistry WebBook
3,4-methylenedioxybenzaldehyde ChemIDplus
5-formyl-1,3-benzodioxole NIST Chemistry WebBook
heliotropin NIST Chemistry WebBook
heliotropine NIST Chemistry WebBook
Piperonal KEGG COMPOUND
piperonaldehyde NIST Chemistry WebBook
piperonyl aldehyde ChemIDplus
piperonylaldehyde NIST Chemistry WebBook
protocatechuic aldehyde methylene ether NIST Chemistry WebBook
Database Links Databases
C00002666 KNApSAcK
C10812 KEGG COMPOUND
EP0429316 Patent
EP1253147 Patent
HMDB32612 HMDB
Piperonal Wikipedia
WO0157016 Patent
View more database links
Registry Numbers Types Sources
120-57-0 CAS Registry Number KEGG COMPOUND
120-57-0 CAS Registry Number ChemIDplus
120-57-0 CAS Registry Number NIST Chemistry WebBook
131691 Beilstein Registry Number Beilstein
131691 Reaxys Registry Number Reaxys
4186 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
21854175 PubMed citation CiteXplore
23711775 PubMed citation CiteXplore
6730989 PubMed citation CiteXplore
8308845 PubMed citation CiteXplore
Last Modified
28 July 2014