Isoimperatorin

Modify Date: 2025-08-20 18:54:50

Isoimperatorin Structure
Isoimperatorin structure
 Common Name Isoimperatorin
CAS Number 482-45-1 Molecular Weight 270.280
Density 1.2±0.1 g/cm3 Boiling Point 448.3±45.0 °C at 760 mmHg
Molecular Formula C16H14O4 Melting Point 109ºC
MSDS Chinese USA Flash Point 224.9±28.7 °C

 Use of Isoimperatorin


Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM.

 Names

Name isoimperatorin
Synonym More Synonyms

 Isoimperatorin Biological Activity

Description Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM.
Related Catalog
Target

IC50: 74.6 μM (AChE)[1]

In Vitro During a screening program for new agrochemicals from Chinese medicinal herbs, the ethanol extract of Notopterygium incisum rhizomes is found to possess strong nematicidal activity against the two species of nematodes, Bursaphelenchus xylophilus and Meloidogyne incognita. Based on bioactivity-guided fractionation, the four constituents are isolated from the ethanol extract and identified as Columbianetin, Falcarindiol, Falcarinol, and Isoimperatorin. Isoimperatorin also has LC50 values of 21.83 μg/mL against B. xylophilus. When using 15 min UV light treatment, falcarindiol, falcarinol, and isoimperatorin demonstrated almost five times more toxic to the southern root-knot nematodes than in dark treatment while columbianetin showed only two times more toxic. isoimperatorin has been demonstrated to possess insecticidal activity against several insects, such as the cabbage aphid (Brevicoryne brassicae)[2]. Isoimperatorin is identified in the active fraction of Angelica dahurica (AD) extract[3]. Isoimperatorin is usually used as the internal standard (IS)[4].
References

[1]. Kim DK, et al. Acetylcholinesterase inhibitors from the roots of Angelica dahurica. Arch Pharm Res. 2002 Dec;25(6):856-9.

[2]. Liu G, et al. Identification of Nematicidal Constituents of Notopterygium incisum Rhizomes against Bursaphelenchus xylophilus and Meloidogyne incognita. Molecules. 2016 Sep 23;21(10). pii: E1276.

[3]. Park EY, et al. Angelica dahurica Extracts Improve Glucose Tolerance through the Activation of GPR119. PLoS One. 2016 Jul 8;11(7):e0158796.

[4]. Yu XA, et al. The pharmacokinetics, bioavailability and excretion of bergapten after oral and intravenous administration in rats using high performance liquid chromatography with fluorescence detection. Chem Cent J. 2016 Oct 14;10:62.

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 448.3±45.0 °C at 760 mmHg
Melting Point 109ºC
Molecular Formula C16H14O4
Molecular Weight 270.280
Flash Point 224.9±28.7 °C
Exact Mass 270.089203
PSA 52.58000
LogP 3.88
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.606
InChIKey IGWDEVSBEKYORK-UHFFFAOYSA-N
SMILES CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12
Storage condition -20°C Freezer

 Safety Information

RIDADR NONH for all modes of transport
RTECS LV1513000

 Synthetic Route

Bergaptol structure

Bergaptol

CAS#:486-60-2

3,3-Dimethylallyl bromide structure

3,3-Dimethylall...

CAS#:870-63-3

~75%

Isoimperatorin Structure

Isoimperatorin

CAS#:482-45-1

Literature: Row; Brown; Stachulski; Lennard Organic and Biomolecular Chemistry, 2006 , vol. 4, # 8 p. 1604 - 1610
Bergapten structure

Bergapten

CAS#:484-20-8

~%

Isoimperatorin Structure

Isoimperatorin

CAS#:482-45-1

Literature: Row; Brown; Stachulski; Lennard Organic and Biomolecular Chemistry, 2006 , vol. 4, # 8 p. 1604 - 1610

 Articles26

More Articles
In vitro activity of isoimperatorin, alone and in combination, against Mycobacterium tuberculosis.

Lett. Appl. Microbiol. 58(4) , 344-9, (2014)

Previous studies have shown that isoimperatorin (IO), a furanocoumarin isolated from several medicinal plants, has antimycobacterial activity against Mycobacterium tuberculosis strain H37Rv (ATCC 2729...

Study on pharmacokinetics and tissue distribution of pteryxin in mice by ultra-pressure liquid chromatography with tandem mass spectrometry.

Biomed. Chromatogr. 26(7) , 802-7, (2012)

Pteryxin is a coumarin compound naturally occurring in the roots of Radix Peucedani, a commonly used as traditional Chinese medicine for the treatment of certain respiratory diseases and hypertension....

Ethyl acetate extract from Angelica Dahuricae Radix inhibits lipopolysaccharide-induced production of nitric oxide, prostaglandin E2 and tumor necrosis factor-alphavia mitogen-activated protein kinases and nuclear factor-kappaB in macrophages.

Pharmacol. Res. 55(4) , 263-70, (2007)

Angelica dahurica (Umbelliferae) has been used to treat headache of common cold, supraorbital neuralgia, painful swelling on the body, nasal stuffiness, leukorrhea and arthralgia due to wind-dampness ...

 IsoimperatorinBioassay

View more

Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Antitubercular activity against Mycobacterium tuberculosis assessed as growth inhibit...
Source: ChEMBL
Target: Mycobacterium tuberculosis
External Id: CHEMBL2339987
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect ce...
Source: ChEMBL
Target: Amine oxidase [flavin-containing] B
External Id: CHEMBL4424159
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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 Synonyms

IisoiMperatorin
buten-1-yl)oxy]
Iso Imperatorin
Isoimperatoin
MFCD00272155
4-[(3-Methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one
Isoimperatorin
4-PRENYLOXYPSORALEN
Isomperatorin
Auraptin
isoimperatonin
4-[(3-Methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one
Cnidin
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