1-pentene-3-one profile

1-pentene-3-one is a **chemical compound** with the formula **CH2=CHCH2COCH3**. It's an **unsaturated ketone**, meaning it has a double bond (C=C) in the carbon chain and a ketone functional group (C=O).

Here's a breakdown of its structure and importance in research:

**Structure:**

* **1-pentene:** This indicates a five-carbon chain (pent-) with a double bond at the first carbon atom.
* **3-one:** This signifies a ketone functional group located on the third carbon atom of the chain.

**Importance in Research:**

1-pentene-3-one is **not a widely known or studied compound** in current research compared to other ketones or alkenes. This is likely due to several factors:

* **Limited applications:** It doesn't have specific known applications in medicine, industry, or other fields.
* **Stability:** It might be less stable or more reactive than other similar compounds.
* **Availability:** It's possibly not readily available commercially or synthesized in large quantities.

**Potential Research Interest:**

Despite its lack of current prominence, 1-pentene-3-one could potentially be of interest in research due to:

* **Synthetic intermediate:** It could serve as a building block for the synthesis of more complex molecules with potential biological or industrial applications.
* **Reactive properties:** Its double bond and ketone group can undergo various chemical reactions, making it useful for studying reaction mechanisms or developing new synthetic methods.
* **Spectroscopic studies:** Its unique structure could be valuable for studying the relationship between structure and spectroscopy (e.g., NMR, IR).

**To understand its specific research importance, you would need to investigate:**

* **Literature searches:** Check scientific databases for published papers related to 1-pentene-3-one.
* **Expert opinions:** Consult chemists specializing in organic synthesis or related fields.
* **Specific applications:** Determine if any specific research groups or companies are investigating its potential in particular areas.

It's important to remember that the **research significance of any compound is often context-dependent**. The importance of 1-pentene-3-one might emerge depending on the specific research question or application being investigated.

1-penten-3-one : An enone that is pent-1-ene substituted by an oxo group at position 3. [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	15394
CHEMBL ID	1506228
CHEBI ID	89945
MeSH ID	M0160790

Synonym
r0053y1az7 ,
4-01-00-03457 (beilstein handbook reference)
unii-r0053y1az7
nsc-81211
1629-58-9
ethyl vinyl ketone
nsc81211
ketone, ethyl vinyl
1-penten-3-one
wln: 2v1u1
NCGC00090734-01
inchi=1/c5h8o/c1-3-5(6)4-2/h3h,1,4h2,2h
ccris 4223
nsc 81211
ethylvinyl ketone
einecs 216-624-3
fema no. 3382
brn 1735857
1-pentene-3-one
1-penten-3-one, contains 0.1% bht as stabilizer, 97%
ethyl vinyl ketone, >=97%, stabilized with bht, fg
pent-1-en-3-one
ethylvinylketone
pentenone
NCGC00090734-02
4-penten-3-one
AKOS009158145
EN300-60334
LMFA12000069
NCGC00258190-01
cas-1629-58-9
dtxsid5025318 ,
dtxcid605318
tox21_200636
FT-0608204
1-penten-3-one [fhfi]
CHEMBL1506228
chebi:89945 ,
vinyl ethyl ketone
methylbutenone
c2h5coch=ch2
mfcd00009316
1-penten-3-one, contains ~0.1% bht as stabilizer, analytical standard
ethyl vinyl ketone, >=97%, stabilized, fg
propionylethylene
1-penten-3-one (ethyl vinyl ketone)
fema 3382
penten-3-one
pent-1-en-3-one (contains 0.1% bht stabiliser)
Q161669

Role	Description
human metabolite	Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
flavouring agent	A food additive that is used to added improve the taste or odour of a food.
plant metabolite	Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
genotoxin	A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells.
[role 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]

Class	Description
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]

Pathway	Proteins	Compounds
detoxification of reactive carbonyls in chloroplasts	4	22

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
GLI family zinc finger 3	Homo sapiens (human)	Potency	72.4931	0.0007	14.5928	83.7951	AID1259369; AID1259392
AR protein	Homo sapiens (human)	Potency	70.7946	0.0002	21.2231	8,912.5098	AID588516
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	1.9953	0.0112	12.4002	100.0000	AID1030
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	0.0126	0.0013	18.0743	39.8107	AID926; AID938
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	70.7186	0.0030	41.6115	22,387.1992	AID1159552; AID1159553; AID1159555
pregnane X nuclear receptor	Homo sapiens (human)	Potency	17.7828	0.0054	28.0263	1,258.9301	AID720659
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	28.0296	0.0003	23.4451	159.6830	AID743065; AID743066
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	42.1632	0.0006	27.2152	1,122.0200	AID651741
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1 (3.85)	18.7374
1990's	2 (7.69)	18.2507
2000's	11 (42.31)	29.6817
2010's	9 (34.62)	24.3611
2020's	3 (11.54)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (3.70%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	26 (96.30%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	2.47	2	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
benzaldehyde [no description available]	2.08	1	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite
1-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.	2.05	1	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
phosphorylcholine Phosphorylcholine: Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.. phosphocholine : The phosphate of choline; and the parent compound of the phosphocholine family.	2.02	1	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
1-propanol 1-Propanol: A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.. propan-1-ol : The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group.	1.97	1	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
proadifen Proadifen: An inhibitor of drug metabolism and CYTOCHROME P-450 ENZYME SYSTEM activity.	1.97	1	diarylmethane
n-hexanal [no description available]	2.05	1	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	human urinary metabolite
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.	2.91	4	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
vinyl chloride Vinyl Chloride: A gas that has been used as an aerosol propellant and is the starting material for polyvinyl resins. Toxicity studies have shown various adverse effects, particularly the occurrence of liver neoplasms.. chloroethene : A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group.	2.05	1	chloroethenes; gas molecular entity; monohaloethene	carcinogenic agent
carbon disulfide Carbon Disulfide: A colorless, flammable, poisonous liquid, CS2. It is used as a solvent, and is a counterirritant and has local anesthetic properties but is not used as such. It is highly toxic with pronounced CNS, hematologic, and dermatologic effects.	2.21	1	one-carbon compound; organosulfur compound
isobutyl alcohol isobutyl alcohol: RN given refers to parent cpd	2.05	1	alkyl alcohol; primary alcohol	Saccharomyces cerevisiae metabolite
3-buten-2-one buten-2-one : A methyl ketone that is butan-2-one with an unsaturation at position 3.	2	1	enone; methyl ketone
phenylhydrazine [no description available]	2.02	1	phenylhydrazines	xenobiotic
acrolein [no description available]	2.01	1	enal	herbicide; human xenobiotic metabolite; toxin
2-pentanone pentanone : Any ketone that is pentane substituted by an oxo group at unspecified position.	2.21	1	methyl ketone; pentanone	plant metabolite
1-hexanol 1-hexanol: RN given refers to parent cpd. hexanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of six carbon atoms.. hexan-1-ol : A primary alcohol that is hexane substituted by a hydroxy group at position 1.	2.46	2	hexanol; primary alcohol	alarm pheromone; antibacterial agent; fragrance; plant metabolite
cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.	2.02	1	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
3-hexen-1-ol 3-hexen-1-ol: RN given refers to (Z)-isomer; a green odor chemical. hex-3-en-1-ol : A primary alcohol that is hex-3-ene substituted by a hydroxy group at position 1.	2.05	1	alkenyl alcohol; homoallylic alcohol; primary alcohol; volatile organic compound	plant metabolite
2,6-nonadienal [no description available]	2.02	1
1-penten-3-ol [no description available]	2.91	4	alcohol
1,4-cyclohexadiene [no description available]	2.03	1	cyclohexadiene
tocopherols [no description available]	2.15	1
2-pentylfuran 2-pentylfuran: structure in first source. 2-pentylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a pentyl group. It is found in many heat-processed foods and drinks.	2.07	1	furans	Aspergillus metabolite; bacterial metabolite; flavouring agent; human urinary metabolite; insect repellent; plant growth stimulator; volatile oil component
molybdenum Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase.	2.03	1	chromium group element atom	micronutrient
alkenes [no description available]	2.43	2
hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.	2.49	2	oxygen hydride; oxygen radical; reactive oxygen species
alpha-linolenic acid linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins.. linolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid.	2.01	1	linolenic acid; omega-3 fatty acid	micronutrient; mouse metabolite; nutraceutical
2-hexenal, z-isomer 2-hexenal: product of lipid peroxidation in the rat liver; a green odor chemical; do not confuse with the hexabarbital synonym, hexenal; RN given refers to cpd without isomeric designation. 2-hexenal : A hexenal having the double bond at the 2-position.. (2E)-hexenal : A 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices.	2.49	2	2-hexenal	antibacterial agent; flavouring agent; plant metabolite
10-hydroxy-8-octadecenoic acid [no description available]	2.02	1	long-chain fatty acid
2-pentenal 2-pentenal: RN given refers to cpd without isomeric designation. 2-pentenal : An enal consisting of pent-2-ene having an oxo group at the 1-position. (E)-2-pentenal : A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk.	2.49	2	2-pentenal	plant metabolite
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	2.17	1	cysteinium	fundamental metabolite

1-pentene-3-one

Description

Cross-References

Synonyms (50)

Roles (4)

Drug Classes (1)

Pathways (1)

Protein Targets (8)

Potency Measurements

Research

Studies (26)

Market Indicators

Research Demand Index: 35.42

Study Types