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]
| ID Source | ID |
|---|---|
| PubMed CID | 5371002 |
| CHEMBL ID | 3183603 |
| CHEBI ID | 10284 |
| SCHEMBL ID | 158416 |
| MeSH ID | M0051780 |
| 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 |
| 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 | 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] | |||||||
| 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] | ||||
| 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] | ||
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.
| This Compound (34.17) All Compounds (24.57) |
| 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] | ||