Page last updated: 2024-12-11

(2e)-3-phenyl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one

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

The chemical name you provided, **(2E)-3-phenyl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one**, describes a specific organic compound with the following characteristics:

* **(2E)**: This indicates the configuration of a double bond in the molecule. E stands for entgegen, meaning opposite, and specifies that the two highest priority groups attached to the double bond are on opposite sides.
* **3-phenyl**: This indicates a phenyl group (a benzene ring) attached to the third carbon atom.
* **1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)**: This indicates a complex cyclic structure attached to the first carbon atom. It is a 1,6-benzodioxocin ring system, with a bridge between the 1 and 6 positions, containing an oxygen atom. The tetrahydro part indicates that the ring is saturated (has all single bonds) and contains four hydrogen atoms.
* **prop-2-en-1-one**: This part describes a three-carbon chain (propane) with a double bond at the second carbon atom (prop-2-en) and a ketone functional group at the first carbon atom (1-one).

**Importance for Research:**

Unfortunately, without further context or research on this specific compound, it is impossible to determine its exact significance in research.

**Here's why it might be important:**

* **Potential pharmacological activity:** The complex structure of this molecule suggests it could interact with biological systems, potentially possessing pharmaceutical properties.
* **Chemical synthesis and reactivity:** The compound could be a useful building block or reactant in the synthesis of other novel molecules, with potential applications in various fields, such as materials science or organic chemistry.
* **Structure-activity relationships:** By studying the structure-activity relationship of this compound, researchers can gain insights into the properties and functions of similar molecules.

**To understand its importance, you would need more information, such as:**

* **Research area:** Which research field is this compound related to (e.g., drug discovery, materials science)?
* **Published studies:** Have any articles or patents been published that discuss this compound?
* **Target protein:** Does this compound have any known targets in biological systems?

By researching this compound in the context of the relevant scientific literature, you can discover its specific importance and potential applications.

Cross-References

ID SourceID
PubMed CID5336820
CHEMBL ID1347392
MeSH IDM0572913

Synonyms (10)

Synonym
3-phenyl-1-(2,3,4,5-tetrahydro-benzo[b]dioxocin-8-yl)-propenone
smr000175774
MLS000561018
AKOS000646161
(e)-3-phenyl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one
HMS2323M18
AB00096666-01
CHEMBL1347392
(2e)-3-phenyl-1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one
STL512831
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (29)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, JmjC domain-containing histone demethylation protein 3AHomo sapiens (human)Potency89.12510.631035.7641100.0000AID504339
Chain A, Ferritin light chainEquus caballus (horse)Potency12.58935.623417.292931.6228AID485281
LuciferasePhotinus pyralis (common eastern firefly)Potency0.37930.007215.758889.3584AID588342
BRCA1Homo sapiens (human)Potency2.23870.89137.722525.1189AID624202
ATAD5 protein, partialHomo sapiens (human)Potency11.08240.004110.890331.5287AID504466; AID504467
TDP1 proteinHomo sapiens (human)Potency29.09290.000811.382244.6684AID686978
Microtubule-associated protein tauHomo sapiens (human)Potency12.58930.180013.557439.8107AID1460
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency39.81070.011212.4002100.0000AID1030
nonstructural protein 1Influenza A virus (A/WSN/1933(H1N1))Potency6.30960.28189.721235.4813AID2326
67.9K proteinVaccinia virusPotency17.48820.00018.4406100.0000AID720579; AID720580
P53Homo sapiens (human)Potency19.95260.07319.685831.6228AID504706
pyruvate kinaseLeishmania mexicana mexicanaPotency28.18380.398113.744731.6228AID1721; AID1722
heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa)Homo sapiens (human)Potency10.00000.016525.307841.3999AID602332
NPC intracellular cholesterol transporter 1 precursorHomo sapiens (human)Potency1.00000.01262.451825.0177AID485313
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency22.38720.001815.663839.8107AID894
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency63.09570.354828.065989.1251AID504847
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency8.19950.00419.984825.9290AID504444
ras-related protein Rab-9AHomo sapiens (human)Potency1.12200.00022.621531.4954AID485297
eyes absent homolog 2 isoform aHomo sapiens (human)Potency79.43281.199814.641950.1187AID488837
DNA polymerase eta isoform 1Homo sapiens (human)Potency39.81070.100028.9256213.3130AID588591
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency14.12540.050127.073689.1251AID588590
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency17.48820.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency28.18380.004611.374133.4983AID624296; AID624297
VprHuman immunodeficiency virus 1Potency63.09571.584919.626463.0957AID651644
survival motor neuron protein isoform dHomo sapiens (human)Potency17.78280.125912.234435.4813AID1458
lamin isoform A-delta10Homo sapiens (human)Potency12.58930.891312.067628.1838AID1487
Glycoprotein hormones alpha chainHomo sapiens (human)Potency11.22024.46688.344810.0000AID624291
Endothelin receptor type BRattus norvegicus (Norway rat)Potency28.18380.562315.160931.6228AID1721
Endothelin-1 receptorRattus norvegicus (Norway rat)Potency28.18380.562315.160931.6228AID1721
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (14)

Processvia Protein(s)Taxonomy
G protein-coupled receptor signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of cell population proliferationGlycoprotein hormones alpha chainHomo sapiens (human)
hormone-mediated signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
regulation of signaling receptor activityGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of steroid biosynthetic processGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of cell migrationGlycoprotein hormones alpha chainHomo sapiens (human)
thyroid gland developmentGlycoprotein hormones alpha chainHomo sapiens (human)
luteinizing hormone secretionGlycoprotein hormones alpha chainHomo sapiens (human)
organ growthGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone signaling pathwayGlycoprotein hormones alpha chainHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIGlycoprotein hormones alpha chainHomo sapiens (human)
negative regulation of organ growthGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone secretionGlycoprotein hormones alpha chainHomo sapiens (human)
thyroid hormone generationGlycoprotein hormones alpha chainHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (3)

Processvia Protein(s)Taxonomy
hormone activityGlycoprotein hormones alpha chainHomo sapiens (human)
protein bindingGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone activityGlycoprotein hormones alpha chainHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (5)

Processvia Protein(s)Taxonomy
extracellular regionGlycoprotein hormones alpha chainHomo sapiens (human)
extracellular spaceGlycoprotein hormones alpha chainHomo sapiens (human)
Golgi lumenGlycoprotein hormones alpha chainHomo sapiens (human)
follicle-stimulating hormone complexGlycoprotein hormones alpha chainHomo sapiens (human)
pituitary gonadotropin complexGlycoprotein hormones alpha chainHomo sapiens (human)
extracellular spaceGlycoprotein hormones alpha chainHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

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 weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]