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CHEBI:176420 - FINO2

ChEBI IDCHEBI:176420
ChEBI NameFINO2
Stars
ASCII NameFINO2
DefinitionAn oxaspiro compound that is 1,2-dioxaspiro[4.5]decane substituted by methyl, 2-hydroxyethyl and tert-butyl groups at positions 3, 3 and 8, respectivey (the 5s,8s-stereoisomer). It induces ferroptosis in cancer cells by indirectly inhibiting glutathione peroxidase 4 (GPX4) enzymatic function and directly oxidizes iron leading to widespread lipid peroxidation.
Last Modified7 June 2021
SubmitterAdnan
DownloadsMolfile
FormulaC15H28O3
Net Charge0
Average Mass256.386
Monoisotopic Mass256.20384
SMILESCC1(CCO)C[C@]2(CC[C@H](C(C)(C)C)CC2)OO1
InChIInChI=1S/C15H28O3/c1-13(2,3)12-5-7-15(8-6-12)11-14(4,9-10-16)17-18-15/h12,16H,5-11H2,1-4H3/t12-,14?,15+
InChIKeyRWJLCLCUNHUSPG-NNUVIIOVSA-N
Roles Classification
Chemical Role:
oxidising agent  A substance that removes electrons from another reactant in a redox reaction.
Biological Role:
ferroptosis inducer  Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
FINO2 (CHEBI:176420) has role antineoplastic agent (CHEBI:35610)
FINO2 (CHEBI:176420) has role ferroptosis inducer (CHEBI:173085)
FINO2 (CHEBI:176420) is a organic heterobicyclic compound (CHEBI:27171)
FINO2 (CHEBI:176420) is a organic peroxide (CHEBI:25702)
FINO2 (CHEBI:176420) is a oxaspiro compound (CHEBI:37948)
FINO2 (CHEBI:176420) is a primary alcohol (CHEBI:15734)
IUPAC Name 
2-[(5s,8s)-8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl]ethanol
Synonym  Source
2-[(5s,8s)-8-tert-butyl-3-methyl-1,2-dioxaspiro[4.5]decan-3-yl]ethan-1-olIUPAC
Registry NumbersSources
CAS:869298-31-7ChEBI
Citations