CHEBI:28235 - p-methoxybenzaldehyde

ChEBI IDCHEBI:28235
ChEBI Namep-methoxybenzaldehyde
Stars
ASCII Namep-methoxybenzaldehyde
DefinitionA member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.
Secondary ChEBI IDsCHEBI:10619, CHEBI:25819
Last Modified24 September 2021
DownloadsMolfile
FormulaC8H8O2
Net Charge0
Average Mass136.150
Monoisotopic Mass136.05243
SMILES[H]C(=O)c1ccc(OC)cc1
InChIInChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKeyZRSNZINYAWTAHE-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (20809147)
Foeniculum vulgare (ncbitaxon:48038) - PubMed (24817361)
Artemisia dracunculus (ncbitaxon:72341) - PubMed (24817361)
Pseudomonas putida (ncbitaxon:303) - PubMed (22610435) Strain: JYR-1
Myrrhis odorata (ncbitaxon:40880) - PubMed (24817361)
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.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
Application:
insect repellent  An insecticide that acts as a repellent to insects.
ChEBI Ontology
Outgoing Relation(s)
p-methoxybenzaldehyde (CHEBI:28235) has role bacterial metabolite (CHEBI:76969)
p-methoxybenzaldehyde (CHEBI:28235) has role human urinary metabolite (CHEBI:84087)
p-methoxybenzaldehyde (CHEBI:28235) has role insect repellent (CHEBI:71692)
p-methoxybenzaldehyde (CHEBI:28235) has role plant metabolite (CHEBI:76924)
p-methoxybenzaldehyde (CHEBI:28235) is a benzaldehydes (CHEBI:22698)
IUPAC Name 
4-methoxybenzaldehyde
Synonyms  Source
p-AnisaldehydeKEGG COMPOUND
p-FormylanisoleHMDB
4-AnisaldehydeHMDB
Para-AnisaldehydeHMDB
AnisalHMDB
4-Methoxy-BenzaldehydeHMDB
UniProt Name  Source
4-methoxybenzaldehydeUniProt
Manual XrefsDatabases
C10761KEGG COMPOUND
C00002636KNApSAcK
AnisaldehydeWikipedia
HMDB0029686HMDB
Registry NumbersSources
Reaxys:471382Reaxys
CAS:123-11-5KEGG COMPOUND
CAS:123-11-5ChemIDplus
CAS:123-11-5NIST Chemistry WebBook
Citations