Isoimperatorin
Isoimperatorin structure
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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 IsoimperatorinIsoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | isoimperatorin |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| 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. |
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| 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 |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| RIDADR | NONH for all modes of transport |
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| RTECS | LV1513000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~75%
Isoimperatorin CAS#:482-45-1 |
| Literature: Row; Brown; Stachulski; Lennard Organic and Biomolecular Chemistry, 2006 , vol. 4, # 8 p. 1604 - 1610 |
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~%
Isoimperatorin CAS#:482-45-1 |
| Literature: Row; Brown; Stachulski; Lennard Organic and Biomolecular Chemistry, 2006 , vol. 4, # 8 p. 1604 - 1610 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 3 | |
CAS#:737-52-0
CAS#:2643-85-8This table lists relevant public references with title, journal and publication metadata for this compound.
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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... |
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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.... |
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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 ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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
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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
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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
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Name: Antitubercular activity against Mycobacterium tuberculosis assessed as growth inhibit...
Source: ChEMBL
Target: Mycobacterium tuberculosis
External Id: CHEMBL2339987
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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
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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
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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
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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.
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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
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 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 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of isoimperatorin? |
| A: CAS number of isoimperatorin is 482-45-1. |
| Q: What is the InChIKey of isoimperatorin? |
| A: InChIKey of isoimperatorin is IGWDEVSBEKYORK-UHFFFAOYSA-N. |
| Q: What is the melting point of isoimperatorin? |
| A: Melting point of isoimperatorin is 109ºC. |
| Q: What is the molecular weight of isoimperatorin? |
| A: Molecular weight of isoimperatorin is 270.280. |
| Q: What is the polar surface area (PSA) of isoimperatorin? |
| A: Polar surface area (PSA) of isoimperatorin is 52.58000. |
| Q: What English synonyms does isoimperatorin have? |
| A: English synonyms of isoimperatorin: 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. |
| Q: What is the English name of isoimperatorin? |
| A: The English name of isoimperatorin is isoimperatorin. |
| Q: What is the boiling point of isoimperatorin? |
| A: Boiling point of isoimperatorin is 448.3±45.0 °C at 760 mmHg. |
| Q: What is the molecular formula of isoimperatorin? |
| A: Molecular formula of isoimperatorin is C16H14O4. |
| Q: What is the SMILES notation of isoimperatorin? |
| A: SMILES notation of isoimperatorin is CC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |