CHEBI:50542 - menthofuran

ChEBI IDCHEBI:50542
ChEBI Namementhofuran
Stars
DefinitionA monoterpenoid that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6.
Last Modified23 October 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H14O
Net Charge0
Average Mass150.221
Monoisotopic Mass150.10447
SMILESCc1coc2c1CCC(C)C2
InChIInChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3
InChIKeyYGWKXXYGDYYFJU-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.
Application:
nematicide  A substance used to destroy pests of the phylum Nematoda (roundworms).
ChEBI Ontology
Outgoing Relation(s)
menthofuran (CHEBI:50542) has role nematicide (CHEBI:25491)
menthofuran (CHEBI:50542) has role plant metabolite (CHEBI:76924)
menthofuran (CHEBI:50542) is a 1-benzofurans (CHEBI:38830)
menthofuran (CHEBI:50542) is a monoterpenoid (CHEBI:25409)
Incoming Relation(s)
(+)-menthofuran (CHEBI:6750) is a menthofuran (CHEBI:50542)
(−)-menthofuran (CHEBI:50544) is a menthofuran (CHEBI:50542)
IUPAC Name 
3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran
Synonyms  Source
3,9-epoxy-p-mentha-3,8-dieneNIST Chemistry WebBook
4,5,6,7-tetrahydro-3,6-dimethylbenzofuranChemIDplus
4,5,6,7-tetrahydro-3,6-dimethylcoumaroneChemIDplus
Manual XrefsDatabases
C09868KEGG COMPOUND
MenthofuranWikipedia
C00003049KNApSAcK
Registry NumbersSources
Reaxys:112934Reaxys
CAS:494-90-6NIST Chemistry WebBook
CAS:494-90-6ChemIDplus
CAS:494-90-6KEGG COMPOUND
Citations