alpha-irone

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

Description

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

alpha-irone : A methyl ketone that is alpha-ionone in which a hydrogen at position 5 of the cyclohex-2-en-1-yl ring is substituted by a methyl group. [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]

Cross-References

ID Source	ID
PubMed CID	5371002
CHEMBL ID	3183603
CHEBI ID	10284
SCHEMBL ID	158416
MeSH ID	M0051780

Synonyms (51)

Synonym
6-methyl ionone
3-buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-
irone
cyclocitrylidenebutanone, alpha-
4-(2,5,6,6-tetramethylcyclohex-2-enyl)but-3-en-2-one
brn 1343498
ai3-36190
einecs 201-219-6
fema no. 2597
alpha-inone, methyl-
cyclocitrylidenemethyl ethyl ketone, alpha-
alpha-ionone, methyl-
2,6-cis-(2(1),2(2))-alpha-ionone, cis-
irone, alpha-
4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one
4-(2,5,6,6-tetramethyl-2-cyclo-hexen-1-yl)-3-buten-2-one
6-methyl-alpha-ionone
CHEBI:10284 ,
alpha-iron
(3e)-4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
methyl alpha-ionone
79-69-6
alpha-irone
4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
tox21_302306
dtxcid10196549
dtxsid4047042 ,
cas-79-69-6
NCGC00256241-01
o3m0l879k6 ,
unii-o3m0l879k6
SCHEMBL158416
irone .alpha. b
(3e)-4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one #
CHEMBL3183603
alpha-inone, methyl- (6ci)
methyl-alpha -ionone
ionone 6-methyl, alpha
methyl-alpha-inone
6-methyl-alpha -ionone
4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one, 9ci
fema 2597
cis-2,6-cis-(2(1),2(2))-alpha-ionone
alpha 6-methyl--ionone
alpha -methyl-ionone
alpha-cyclocitrylidenebutanone
alpha-cyclocitrylidenemethyl ethyl ketone
alpha -irone
(e)-4-(2,5,6,6-tetramethylcyclohex-2-enyl)but-3-en-2-one
Q27108610
AKOS040759698

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (2)

Class	Description
methyl ketone	A ketone of formula RC(=O)CH3 (R =/= H).
enone	An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position.
[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 (3)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
GLI family zinc finger 3	Homo sapiens (human)	Potency	61.1306	0.0007	14.5928	83.7951	AID1259369; AID1259392
pregnane X nuclear receptor	Homo sapiens (human)	Potency	19.3312	0.0054	28.0263	1,258.9301	AID1346982
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	61.1306	0.0006	27.2152	1,122.0200	AID743202
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (3)

Assay ID	Title	Year	Journal	Article
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	1 (16.67)	29.6817
2010's	1 (16.67)	24.3611
2020's	4 (66.67)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 34.17

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

Metric	This Compound (vs All)
Research Demand Index	34.17 (24.57)
Research Supply Index	1.95 (2.92)
Research Growth Index	5.08 (4.65)
Search Engine Demand Index	42.09 (26.88)
Search Engine Supply Index	2.00 (0.95)

This Compound (34.17)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (16.67%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	5 (83.33%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

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