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CHEBI:19371 - dibromothymoquinone

ChEBI IDCHEBI:19371
ChEBI Namedibromothymoquinone
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Last Modified2 June 2016
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FormulaC10H10Br2O2
Net Charge0
Average Mass321.996
Monoisotopic Mass319.90475
SMILESCC1=C(Br)C(=O)C(C(C)C)=C(Br)C1=O
InChIInChI=1S/C10H10Br2O2/c1-4(2)6-8(12)9(13)5(3)7(11)10(6)14/h4H,1-3H3
InChIKeyGHHZELQYJPWSMG-UHFFFAOYSA-N
Roles Classification
Biological Role:
Application:
ChEBI Ontology
Outgoing Relation(s)
dibromothymoquinone (CHEBI:19371) has role cytochrome-b6f complex inhibitor (CHEBI:23529)
dibromothymoquinone (CHEBI:19371) is a 1,4-benzoquinones (CHEBI:132124)
IUPAC Name 
2,5-dibromo-3-methyl-6-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
Synonyms  Source
2,5-dibromo-3-isopropyl-6-methyl-1,4-benzoquinoneIUPAC
2,5-dibromo-3-isopropyl-6-methylbenzoquinoneChemIDplus
2,5-dibromo-3-methyl-6-(1-methylethyl)-2,5-cyclohexadiene-1,4-dioneChemIDplus
2,5-dibromo-3-methyl-6-(1-methylethyl)cyclohexa-2,5-diene-1,4-dioneIUPAC
DBMIBChEBI
Manual XrefsDatabases
DB04646DrugBank
Registry NumbersSources
Beilstein:2265154Beilstein
CAS:29096-93-3ChemIDplus