CHEBI:88549 - dihydrodehydro-β-ionone

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ChEBI Name dihydrodehydro-β-ionone
ChEBI ID CHEBI:88549
ChEBI ASCII Name dihydrodehydro-beta-ionone
Definition A member of the class of cyclohexadienes that is cyclohexa-1,3-diene substituted by a 3-oxobutyl group at position 1 and by methyl groups at positions 2 and 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H20O
Net Charge 0
Average Mass 192.302
Monoisotopic Mass 192.15142
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3
InChIKey SQFRYZPEWOZAKJ-UHFFFAOYSA-N
SMILES C1C=CC(=C(C1(C)C)CCC(C)=O)C
Roles Classification
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dihydrodehydro-β-ionone (CHEBI:88549) has role flavouring agent (CHEBI:35617)
dihydrodehydro-β-ionone (CHEBI:88549) has role human urinary metabolite (CHEBI:84087)
dihydrodehydro-β-ionone (CHEBI:88549) is a cyclohexadiene (CHEBI:37613)
dihydrodehydro-β-ionone (CHEBI:88549) is a methyl ketone (CHEBI:51867)
IUPAC Name
4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one
Synonyms Sources
3,4-didehydro-7,8-dihydro-β-ionone NIST Chemistry WebBook
4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-butanone HMDB
4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)butan-2-one ChemIDplus
4-(2,6,6-trimethyl-1,3-cyclohexadienyl)-2-butanone ChEBI
4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-one HMDB
4-(2,6,6-trimethylcyclohexa-1,3-dienyl)butan-2-one HMDB
7,8-dihydro-3,4-dehydro-β-ionone NIST Chemistry WebBook
dehydrodihydroionone ChemIDplus
dihydrodehydro-beta-ionone ChemIDplus
FEMA 3447 HMDB
Manual Xrefs Databases
FDB016134 FooDB
HMDB0037139 HMDB
US3928645 Patent
View more database links
Registry Numbers Types Sources
20483-36-7 CAS Registry Number ChemIDplus
20483-36-7 CAS Registry Number NIST Chemistry WebBook
2641515 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24023812 PubMed citation Europe PMC
32411613 PubMed citation Europe PMC
Last Modified
17 June 2020