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(S)-sencyunolide
(S)-3-N-butyl-4,5-dihydrophthalide

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Name:(3S)-3-butyl-4,5-dihydro-3H-2-benzofuran-1-one
CAS Number: 63038-10-8Picture of molecule3D/inchi
Other(deleted CASRN):62006-39-7
FDA UNII: 74QZK813SO
Nikkaji Web:J19.102G
XlogP3-AA:2.70 (est)
Molecular Weight:192.25792000
Formula:C12 H16 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 368.00 to 369.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.000013 mmHg @ 25.00 °C. (est)
Flash Point: 309.00 °F. TCC ( 154.20 °C. ) (est)
logP (o/w): 1.775 (est)
Soluble in:
 alcohol
 water, 103.8 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfa Biotechnology
For experimental / research use only.
Senkyunolide A 98%
BOC Sciences
For experimental / research use only.
Senkyunolide A >95%
Odor: characteristic
Use: Senkyunolide A is a natural compound found in several plants.
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for (S)-sencyunolide usage levels up to:
 not for fragrance use.
 
Recommendation for (S)-sencyunolide flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3085257
National Institute of Allergy and Infectious Diseases:Data
(3S)-3-butyl-4,5-dihydro-3H-2-benzofuran-1-one
Chemidplus:0063038108
 
References:
 (3S)-3-butyl-4,5-dihydro-3H-2-benzofuran-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):3085257
Pubchem (sid):135234589
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
KEGG (GenomeNet):C17853
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 angelica sinensis
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 celery
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 lovage szechuan lovage
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Synonyms:
(S)-3-butyl-4,5-dihydro-1(3H)-isobenzofuranone
(3S)-3-butyl-4,5-dihydro-3H-2-benzofuran-1-one
(S)-3-N-butyl-4,5-dihydrophthalide
(S)-senkyunolide
(S)-senkyunolide A
 

Articles:

PubMed:Development of an analytical method coupling cell membrane chromatography with gas chromatography-mass spectrometry via microextraction by packed sorbent and its application in the screening of volatile active compounds in natural products.
PubMed:Evaluation of the influence of sulfur fumigation on the pharmacokinetics of four active ingredients in Si Wu Tang.
PubMed:The metabolism of YiGan San and subsequent pharmacokinetic evaluation of four metabolites in rat based on liquid chromatography with tandem mass spectrometry.
PubMed:Simultaneous Determination of 10 Components in Bu-Zhong-Yi-Qi Wan by Solid Phase Extraction-High Performance Liquid Chromatography with Diode Array Detection and Evaporative Light Scattering Detection.
PubMed:[Quantitative determination of 5 active ingredients in different harvest periods of Ligusticum chuanxiong by HPLC].
PubMed:Comparative analysis of main aromatic acids and phthalides in Angelicae Sinensis Radix, Chuanxiong Rhizoma, and Fo-Shou-San by a validated UHPLC-TQ-MS/MS.
PubMed:Multi-component analysis in sun-dried and sulfur-fumigated Angelicae Sinensis Radix by single marker quantitation and chemometric discrimination.
PubMed:Simultaneous determination of paeoniflorin, albiflorin, ferulic acid, tetrahydropalmatine, protopine, typhaneoside, senkyunolide I in Beagle dogs plasma by UPLC-MS/MS and its application to a pharmacokinetic study after Oral Administration of Shaofu Zhuyu Decoction.
PubMed:Analysis of the Correlation between Commodity Grade and Quality of Angelica sinensis by Determination of Active Compounds Using Ultraperformance Liquid Chromatography Coupled with Chemometrics.
PubMed:[Network pharmacology study on major active compounds of siwu decoction analogous formulae for treating primary dysmenorrhea of gynecology blood stasis syndrome].
PubMed:[A new phthalide from angelicae sinensis radix].
PubMed:Optimization of high-pressure ultrasonic-assisted simultaneous extraction of six major constituents from Ligusticum chuanxiong rhizome using response surface methodology.
PubMed:[Optimization of supercritical fluid extraction of bioactive components in Ligusticum chuanxiong by orthogonal array design].
PubMed:A high performance liquid chromatography fingerprinting and ultra high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry chemical profiling approach to rapidly find characteristic chemical markers for quality evaluation of dispensing granules, a case study on Chuanxiong Rhizoma.
PubMed:[Preparation of ferulic acid, senkyunolide I and senkyunolide H from Ligusticum chuanxiong by preparative HPLC].
PubMed:[Study on the constituents of essential oil of Shunaoxin dropping pills by GC-MS].
PubMed:Structure elucidation of degradation products of Z-ligustilide by UPLC-QTOF-MS and NMR spectroscopy.
PubMed:Simultaneous quantification of six main active constituents in Chinese Angelica by high-performance liquid chromatography with photodiode array detector.
PubMed:[Chemical change of chuanxiong raw materials during storage].
PubMed:Chemical changes of Angelicae Sinensis Radix and Chuanxiong Rhizoma by wine treatment: chemical profiling and marker selection by gas chromatography coupled with triple quadrupole mass spectrometry.
PubMed:Utilization of gene expression signature for quality control of traditional Chinese medicine formula Si-Wu-Tang.
PubMed:[Comparative study on pharmacokinetics of senkyunolide I after administration of simple recipe and compound recipe in rats].
PubMed:Identification of senkyunolide I metabolites in rats using ultra performance liquid chromatography/quadrupole-time-of-flight tandem mass spectrometry.
PubMed:Identification of NF-κB Inhibitors in Xuebijing injection for sepsis treatment based on bioactivity-integrated UPLC-Q/TOF.
PubMed:Online isolation and purification of four phthalide compounds from Chuanxiong rhizoma using high-speed counter-current chromatography coupled with semi-preparative liquid chromatography.
PubMed:[Analysis of chemical constituents of chuanxiong rhizoma absorbed into rat brain tissues by UPLC-Q-TOF-MS].
PubMed:Chemical and biological assessment of angelica roots from different cultivated regions in a chinese herbal decoction danggui buxue tang.
PubMed:Chemical fingerprinting and quantitative constituent analysis of Siwu decoction categorized formulae by UPLC-QTOF/MS/MS and HPLC-DAD.
PubMed:[Analysis on correlation between general efficacy and chemical constituents of danggui-chuanxiong herb pair based on artificial neural network].
PubMed:[Influence of different solutions on extracting of active components in Danggui Chishao drug pair].
PubMed:Pharmacokinetics, tissue distribution and metabolism of senkyunolide I, a major bioactive component in Ligusticum chuanxiong Hort. (Umbelliferae).
PubMed:Comparative pharmacokinetics of senkyunolide I in a rat model of migraine versus normal controls.
PubMed:Chemometric classification of morphologically similar Umbelliferae medicinal herbs by DART-TOF-MS fingerprint.
PubMed:[Release characteristics in vitro and pharmacokinetics of da chuanxiong fang multiunit drug delivery system in rats].
PubMed:Qualitative and quantitative analysis of the major constituents in Chinese medicinal preparation Guan-Xin-Ning injection by HPLC-DAD-ESI-MS(n).
PubMed:Preparative isolation and purification of senkyunolide-I, senkyunolide-H and ferulic acid from Rhizoma Chuanxiong using counter-current chromatography.
PubMed:Components of rhizome extract of Cnidium officinale Makino and their in vitro biological effects.
PubMed:Identification of the absorbed components and metabolites in rat plasma after oral administration of Rhizoma Chuanxiong decoction by HPLC-ESI-MS/MS.
PubMed:[UPLC-MS analysis of constituents of dachuanxiong fang active parts absorbed into blood].
PubMed:[Studies on the chemical constituents of Ligusticum sinense].
PubMed:Effect and mechanism of senkyunolide I as an anti-migraine compound from Ligusticum chuanxiong.
PubMed:A bio-activity guided in vitro pharmacokinetic method to improve the quality control of Chinese medicines, application to Si Wu Tang.
PubMed:Isolation and identification of anti-inflammatory constituents from Ligusticum chuanxiong and their underlying mechanisms of action on microglia.
PubMed:Roles of paeoniflorin and senkyunolide I in SiWu decoction on antiplatelet and anticoagulation activities.
PubMed:[Analysis of volatile oils of Ligusticum chuanxiong Hort. from different geographical origins by comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry].
PubMed:Discovery of cyclooxygenase inhibitors from medicinal plants used to treat inflammation.
PubMed:Identification and comparative quantification of bio-active phthalides in essential oils from si-wu-tang, fo-shou-san, radix angelica and rhizoma chuanxiong.
PubMed:Senkyunolides reduce hydrogen peroxide-induced oxidative damage in human liver HepG2 cells via induction of heme oxygenase-1.
PubMed:[Pharmacological activities of Z-ligustilide and metabolites in rats].
PubMed:Simultaneous determination of phenolic acids and phthalide compounds by liquid chromatography for quality assessment of Rhizoma cnidii.
PubMed:Simultaneous quantification of active components in the herbs and products of Si-Wu-Tang by high performance liquid chromatography-mass spectrometry.
PubMed:Identification and determination of the major constituents in Traditional Chinese Medicinal formula Danggui-Shaoyao-San by HPLC-DAD-ESI-MS/MS.
PubMed:[Study on biligustilides from Angelica sinensis].
PubMed:GC-MS fingerprints for discrimination of Ligusticum chuanxiong from Angelica.
PubMed:Study of the anti-proliferative effects and synergy of phthalides from Angelica sinensis on colon cancer cells.
PubMed:Pharmacokinetics and metabolism of ligustilide, a major bioactive component in Rhizoma Chuanxiong, in the rat.
PubMed:[Studies on chemical constituents of rhizomes of Ligusticum chuanxiong].
PubMed:Characterization of interaction property of multicomponents in Chinese Herb with protein by microdialysis combined with HPLC.
PubMed:Analysis of interaction property of bioactive components in Danggui Buxue Decoction with protein by microdialysis coupled with HPLC-DAD-MS.
PubMed:Comparative analysis of Ligusticum chuanxiong and related umbelliferous medicinal plants by high performance liquid chromatography-electrospray ionization mass spectrometry.
PubMed:Low oral bioavailability and pharmacokinetics of senkyunolide a, a major bioactive component in Rhizoma Chuanxiong, in the rat.
PubMed:Relaxation effects of ligustilide and senkyunolide A, two main constituents of Ligusticum chuanxiong, in rat isolated aorta.
PubMed:Post-harvest alteration of the main chemical ingredients in Ligusticum chuanxiong Hort. (Rhizoma Chuanxiong).
PubMed:Screening and identification of permeable components in a combined prescription of Danggui Buxue decoction using a liposome equilibrium dialysis system followed by HPLC and LC-MS.
PubMed:Serotonergic activity-guided phytochemical investigation of the roots of Angelica sinensis.
PubMed:Time-course accumulation of main bioactive components in the rhizome of Ligusticum chuanxiong.
PubMed:Antibacterial activity of components from Lomatium californicum.
PubMed:[Determination of lactone components in chuanxiong by reversed-phase high performance liquid chromatography].
PubMed:An HPLC/MS method for identifying major constituents in the hypocholesterolemic extracts of Chinese medicine formula 'Xue-Fu-Zhu-Yu decoction'.
PubMed:Identification and comparative determination of senkyunolide A in traditional Chinese medicinal plants Ligusticum chuanxiong and Angelica sinensis by HPLC coupled with DAD and ESI-MS.
PubMed:Phthalide Lactones from Ligusticum chuanxiong inhibit lipopolysaccharide-induced TNF-alpha production and TNF-alpha-mediated NF-kappaB Activation.
PubMed:LC-DAD-APCI-MS-based screening and analysis of the absorption and metabolite components in plasma from a rabbit administered an oral solution of danggui.
PubMed:Hypothesis of potential active components in Angelica sinensis by using biomembrane extraction and high performance liquid chromatography.
PubMed:Development of high-performance liquid chromatographic fingerprints for distinguishing Chinese Angelica from related umbelliferae herbs.
PubMed:HPLC-coupled spectroscopic techniques (UV, MS, NMR) for the structure elucidation of phthalides in Ligusticum chuanxiong.
PubMed:[Preparation of senkyunolide I by reversed-phase high performance liquid chromatography].
PubMed:[Study on fingerprint of rhizoma chuanxiong by HPLC-DAD-MS].
PubMed:Phytochemical analysis of anti-atherogenic constituents of Xue-Fu-Zhu-Yu-Tang using HPLC-DAD-ESI-MS.
PubMed:Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry.
PubMed:Antioxidant, cyclooxygenase and topoisomerase inhibitory compounds from Apium graveolens Linn. seeds.
PubMed:Separation and identification of the phthalic anhydride derivatives of Liqusticum Chuanxiong Hort by GC-MS, TLC, HPLC-DAD, and HPLC-MS.
PubMed:Mosquitocidal, nematicidal, and antifungal compounds from Apium graveolens L. seeds.
PubMed:Chemical structure-activity of cnidium rhizome-derived phthalides for the competence inhibition of proliferation in primary cultures of mouse aorta smooth muscle cells.
PubMed:Antiproliferative effects of the traditional Chinese medicine shimotsu-to, its component cnidium rhizome and derived compounds on primary cultures of mouse aorta smooth muscle cells.
PubMed:[Effects of extract from a herbal drug, cnidium rhizome (senkyu), on contraction, heart rates and membrane potentials of isolated guinea pig atria].
PubMed:[Centrally acting muscle relaxant effect of phthalides (ligustilide, cnidilide and senkyunolide) obtained from Cnidium officinale Makino].
PubMed:The essential oil of Apium graveolens var. secalinum and its cercaricidal activity.
PubMed:Phthalides in Roots of Capnophyllum peregrinum and Peucedanum ostruthium.
PubMed:Phthalides in Roots of Opopanax chironium.
PubMed:Phthalides in the essential oil from roots of Levisticum officinale.
PubMed:[Constituents of Cnidium officinale Makino. Structure of senkyunolide and gas chromatography-mass spectrometory of the related phthalides (author's transl)].
 
Notes:
from seeds of apium graveolens linn.
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