Ketoisohophorone (KIP) is a cyclic ketone compound with a distinctive odor. It is a naturally occurring compound found in various plants and is also produced synthetically. KIP is a key intermediate in the production of several pharmaceuticals and agrochemicals. It is also used as a flavoring agent and a solvent. Research interest in KIP stems from its potential as a building block for the synthesis of complex organic molecules, its biological activity, and its industrial applications. KIP has been shown to exhibit antimicrobial, antifungal, and anti-inflammatory properties. Studies have also explored its potential as a precursor for the synthesis of various bioactive compounds, including anti-cancer agents and anti-HIV drugs. Synthesis of KIP typically involves a multi-step process starting from readily available starting materials, often involving a condensation reaction followed by a cyclization step.'
ketoisophorone: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 62374 |
| CHEBI ID | 179251 |
| SCHEMBL ID | 444616 |
| MeSH ID | M0452567 |
| Synonym |
|---|
| oxoisophorone |
| CHEBI:179251 |
| 1125-21-9 |
| 2,6,6-trimethyl-2-cyclohexene-1,4-dione |
| 2-cyclohexene-1,4-dione, 2,6,6-trimethyl- |
| inchi=1/c9h12o2/c1-6-4-7(10)5-9(2,3)8(6)11/h4h,5h2,1-3h |
| 2,6,6-trimethylcyclohex-2-ene-1,4-dione |
| 4-oxoisophorone, >=98%, fg |
| 2,6,6-trimethyl-2-cyclohexene-1,4-dione, 98% |
| oxopholone |
| 6-oxoisophorone |
| fema no. 3421 |
| 4-oxo-alpha-isophorone |
| keto-isophorone |
| oxophorone |
| 4-oxoisophorone |
| ketoisophorone |
| einecs 214-406-2 |
| 3,5,5-trimethyl-2-cyclohexene-1,4-dione |
| K0034 |
| 2,6,6-trimethyl-2-cyclohexen-1,4-dione |
| 4-ketoisophorone |
| STK801843 |
| AKOS005622552 |
| NCGC00248952-01 |
| NCGC00258745-01 |
| dtxsid9021685 , |
| tox21_201193 |
| cas-1125-21-9 |
| dtxcid701685 |
| 2,6,6-trimethyl-cyclohex-2-ene-1,4-dione |
| S3991 |
| 72wy3klb5r , |
| unii-72wy3klb5r |
| ec 214-406-2 |
| FT-0610509 |
| 2,6,6-trimethylcyclohex-2-ene-1,4-dione [fhfi] |
| SCHEMBL444616 |
| BBL027987 |
| 3,5,5-trimethyl-cyclohex-2-en-1,4-dione |
| 2,2,6-trimethyl-cyclohex-5-en-1,4-dione |
| 2,6,6-trimethylcyclohex-2-en-1,4-dione |
| 2,6,6-trimethylcyclohex-2-ene-1,4-dion |
| 3,5,5-trimethylcyclohex-2-ene-1,4-dione |
| 2-cyclohexene-1,4-dione, 2,6,6-trimethyl |
| 4-oxo-.alpha.-isophorone |
| 2-cyclohexen-1,4-dione, 2,6,6-trimethyl |
| 3,5,5-trimethylcyclohex-2-en-1,4-dione |
| 2,2,6-trimethylcyclohex-2-en-1,4-dione |
| W-108647 |
| mfcd00043119 |
| 2,6,6-trimethyl-2-cyclohexene-1,4-dione, analytical standard |
| 2,2,6-trimethyl-2-cyclohexene-1,4-dione (cetoisophorone) |
| fema 3421 |
| 2,6,6-trimethy-2-cyclohexene-1,4-dione (4-oxoisophorone) |
| 2,2,6-trimethylcyclohex-2-en-1,4-dione (4-oxo-isophorone) |
| HY-107832 |
| SY049954 |
| AS-14431 |
| Q1490748 |
| CCG-266233 |
| CS-0030708 |
| F12784 |
| A894577 |
| EN300-198525 |
| Z1255438584 |
| Class | Description |
|---|---|
| cyclohexenones | Any six-membered alicyclic ketone having one double bond in the ring. |
| [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) |
|---|---|---|---|---|---|---|---|
| pregnane X nuclear receptor | Homo sapiens (human) | Potency | 62.4384 | 0.0054 | 28.0263 | 1,258.9301 | AID1346982 |
| histone deacetylase 9 isoform 3 | Homo sapiens (human) | Potency | 35.1117 | 0.0376 | 17.0823 | 61.1927 | AID1259364 |
| [prepared from compound, protein, and bioassay information 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 | 5 (33.33) | 29.6817 |
| 2010's | 7 (46.67) | 24.3611 |
| 2020's | 3 (20.00) | 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 (30.37) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 2 (12.50%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 14 (87.50%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||