CHEBI:77323 - ethoxyquin

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ChEBI Name ethoxyquin
ChEBI ID CHEBI:77323
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H19NO
Net Charge 0
Average Mass 217.30680
Monoisotopic Mass 217.147
InChI InChI=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
InChIKey DECIPOUIJURFOJ-UHFFFAOYSA-N
SMILES CCOc1ccc2NC(C)(C)C=C(C)c2c1
Roles Classification
Chemical Role(s): food antioxidant
An antioxidant that used as a food additives to help guard against food deterioration.
Biological Role(s): food antioxidant
An antioxidant that used as a food additives to help guard against food deterioration.
UDP-glucuronosyltransferase activator
An effector that activates UDP-glucuronosyltransferase (EC 2.4.1.17).
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.
Application(s): food antioxidant
An antioxidant that used as a food additives to help guard against food deterioration.
neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ethoxyquin (CHEBI:77323) has role agrochemical (CHEBI:33286)
ethoxyquin (CHEBI:77323) has role food antioxidant (CHEBI:77962)
ethoxyquin (CHEBI:77323) has role genotoxin (CHEBI:50902)
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 Sources
1,2-Dihydro-2,2,4-trimethyl-6-ethoxyquinoline NIST Chemistry WebBook
1,2-Dihydro-6-ethoxy-2,2,4-trimethylquinoline HMDB
2,2,4-Trimethyl-6-ethoxy-1,2-dihydroquinoline ChemIDplus
6-Ethoxy-1,2-dihydro-2,2,4-trimethylquinoline HMDB
E 324 ChEBI
E324 ChEBI
Ethoxyquine ChemIDplus
Ethyl 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl ether HMDB
Manual Xrefs Databases
280 VSDB
280 PPDB
Ethoxyquin Wikipedia
HMDB0039531 HMDB
LSM-5670 LINCS
WO2011028128 Patent
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Registry Numbers Types Sources
158223 Reaxys Registry Number Reaxys
91-53-2 CAS Registry Number NIST Chemistry WebBook
91-53-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16199076 PubMed citation Europe PMC
20093172 PubMed citation Europe PMC
20334189 PubMed citation Europe PMC
21902931 PubMed citation Europe PMC
23063794 PubMed citation Europe PMC
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24127661 PubMed citation Europe PMC
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Last Modified
25 February 2016