Compounds > alpha-isomethylionone
Page last updated: 2024-11-11

alpha-isomethylionone

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth

Description

alpha-isomethylionone: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID5372174
CHEMBL ID3183353
CHEBI ID179835
SCHEMBL ID160940
MeSH IDM0479055

Synonyms (67)

Synonym
(e)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
CHEBI:179835
3-buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
isomethyl-.alpha.-ionone
127-51-5
.alpha.-ionone, isomethyl-
.alpha.-cetone
cetone alpha
.alpha. isomethyl ionone
4-(2,6,6-trimethyl 2-cyclohexen-1-yl)-3-methyl-3-buten-2-one
4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one
isomethyl-alpha-ionone
isomethylionone, alpha-
ai3-36074
alpha-ionone, isomethyl-
fema no. 2714
nsc 66432
einecs 204-846-3
3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
methyl-alpha-isoionone
alpha-cetone, odorant used in allergy studies
alpha-isomethylionone
isonaline 70
alpha-iso-methylionone
M0647
STK801849
(3e)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
NCGC00247909-01
unii-9xp4lc555b
9xp4lc555b ,
dtxcid00809691
dtxsid7027047 ,
NCGC00254048-01
cas-127-51-5
tox21_300152
15789-90-9
AKOS015899855
.alpha.-isomethylionone [fhfi]
alpha-isomethyl ionone [inci]
alpha-isomethyl ionone
isomethylionone (alpha-)
(+/-)-isomethyl-.alpha.-ionone
alphaisomethyl ionone
methyl .gamma.-ionone
SCHEMBL160940
(e)-3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one
methyl ionone i
.alpha.-iso-methyl ionone
8-methyl-.alpha.-ionone
3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one #
W-109462
CHEMBL3183353
mfcd00034582
3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one, analytical standard
alpha-isomethyl ionone, >=95%, stabilized, fg
fema 2714
isomethyl-a-ionone
3-methyl-a-ionone
alpha-iso-methylionone, tech grade
3-methyl-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-one
Q2204200
(3e)-3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
DTXSID10859248
A889185
CS-0185934
HY-W127740

Research Excerpts

Toxicity

ExcerptReferenceRelevance
" Based on these data, maternal and developmental no observed adverse effect levels of equal to or greater than 30 mg/kg/day were established for alpha-iso-methylionone."( Evaluation of the developmental toxicity of alpha-iso-methylionone in rats.
Api, AM; Christian, MS; Diener, RM; Hoberman, AM; Lewis, EM; Politano, VT, )		0.13
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
sesquiterpenoidAny terpenoid derived from a sesquiterpene. The term includes compounds in which the C15 skeleton of the parent sesquiterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (2)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
AR proteinHomo sapiens (human)Potency2.85950.000221.22318,912.5098AID743036; AID743053
retinoid X nuclear receptor alphaHomo sapiens (human)Potency12.29980.000817.505159.3239AID1159527
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (3)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's3 (100.00)29.6817
2010's0 (0.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (20.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other4 (80.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
n-pentanol
n-pentanol: RN given refers to parent cpd. pentan-1-ol : A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia.		2.0210pentanol;
short-chain primary fatty alcohol		human metabolite;
plant metabolite
cyclopentane
Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.		2.0210cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent
hydroxyisohexyl 3-cyclohexene carboxaldehyde
hydroxyisohexyl 3-cyclohexene carboxaldehyde: structure in first source		2.0210
sesquiterpenes
[no description available]		2.0210
cinnamyl alcohol
cinnamyl alcohol: RN given refers to parent cpd without isomeric designation. (E)-cinnamyl alcohol : The E (trans) stereoisomer of cinnamyl alcohol.. cinnamyl alcohol : A primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified).		2.0210cinnamyl alcoholplant metabolite
ConditionIndicatedRelationship StrengthStudiesTrials
Allergic Contact Dermatitis
[description not available]		02.0210
Dermatitis, Allergic Contact
A contact dermatitis due to allergic sensitization to various substances. These substances subsequently produce inflammatory reactions in the skin of those who have acquired hypersensitivity to them as a result of prior exposure.		02.0210