CHEBI:77323 - ethoxyquin

ChEBI IDCHEBI:77323
ChEBI Nameethoxyquin
Stars
DefinitionA quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6.
Last Modified28 October 2021
SubmitterSteve
DownloadsMolfile
FormulaC14H19NO
Net Charge0
Average Mass217.312
Monoisotopic Mass217.14666
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
InChIKeyDECIPOUIJURFOJ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
food antioxidant  An antioxidant that used as a food additives to help guard against food deterioration.
Biological Roles:
food antioxidant  An antioxidant that used as a food additives to help guard against food deterioration.
genotoxin  A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells.
UDP-glucuronosyltransferase activator  Any compound that activates UDP-glucuronosyltransferase (EC 2.4.1.17).
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Hsp90 inhibitor  An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90.
Applications:
food antioxidant  An antioxidant that used as a food additives to help guard against food deterioration.
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
herbicide  A substance used to destroy plant pests.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
ethoxyquin (CHEBI:77323) has role antifungal agrochemical (CHEBI:86328)
ethoxyquin (CHEBI:77323) has role food antioxidant (CHEBI:77962)
ethoxyquin (CHEBI:77323) has role genotoxin (CHEBI:50902)
ethoxyquin (CHEBI:77323) has role geroprotector (CHEBI:176497)
ethoxyquin (CHEBI:77323) has role herbicide (CHEBI:24527)
ethoxyquin (CHEBI:77323) has role Hsp90 inhibitor (CHEBI:63962)
ethoxyquin (CHEBI:77323) has role neuroprotective agent (CHEBI:63726)
ethoxyquin (CHEBI:77323) has role UDP-glucuronosyltransferase activator (CHEBI:77324)
ethoxyquin (CHEBI:77323) is a aromatic ether (CHEBI:35618)
ethoxyquin (CHEBI:77323) is a quinolines (CHEBI:26513)
IUPAC Name 
6-ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline
Synonyms  Source
1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinolineNIST Chemistry WebBook
Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl etherHMDB
6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinolineHMDB
1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinolineHMDB
EthoxyquineChemIDplus
2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinolineChemIDplus
Manual XrefsDatabases
HMDB0039531HMDB
EthoxyquinWikipedia
WO2011028128Patent
LSM-5670LINCS
280PPDB
280VSDB
ethoxyquinAlan Wood's Pesticides
FDB019147FooDB
Registry NumbersSources
Reaxys:158223Reaxys
CAS:91-53-2ChemIDplus
CAS:91-53-2NIST Chemistry WebBook
Citations