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:
UDP-glucuronosyltransferase activator  Any compound that activates UDP-glucuronosyltransferase (EC 2.4.1.17).
food antioxidant  An antioxidant that used as a food additives to help guard against food deterioration.
Hsp90 inhibitor  An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90.
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.
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Applications:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
herbicide  A substance used to destroy plant pests.
food antioxidant  An antioxidant that used as a food additives to help guard against food deterioration.
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
1,2-dihydro-2,2,4-trimethyl-6-quinolyl ethyl etherAlan Wood's Pesticides
1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinolineHMDB
2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinolineChemIDplus
6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinolineHMDB
E 324ChEBI
Manual XrefsDatabases
280PPDB
280VSDB
ethoxyquinAlan Wood's Pesticides
EthoxyquinWikipedia
FDB019147FooDB
HMDB0039531HMDB
LSM-5670LINCS
WO2011028128Patent
Registry NumbersSources
Reaxys:158223Reaxys
CAS:91-53-2NIST Chemistry WebBook
CAS:91-53-2ChemIDplus
Citations