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byakangelicin
7H-furo(3,2-g)(1)benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-, (R)-

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Name:9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
CAS Number: 482-25-7Picture of molecule3D/inchi
FDA UNII: LE80Z850I1
Nikkaji Web:J14.808C
MDL:MFCD00468051
XlogP3-AA:1.60 (est)
Molecular Weight:334.32486000
Formula:C17 H18 O7
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
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
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
Soluble in:
 water, 421.7 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.
Byakangelicin 98%
BOC Sciences
For experimental / research use only.
Byakangelicin >98%
Odor: characteristic
Use: Byakangelicin is a natural coumarin compound found in several plants.
Sigma-Aldrich
For experimental / research use only.
Byakangelicin analytical standard
 
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 byakangelicin usage levels up to:
 not for fragrance use.
 
Recommendation for byakangelicin 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 :10211
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
Chemidplus:0000482257
 
References:
 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10211
Pubchem (cas):482-25-7
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C09141
HMDB (The Human Metabolome Database):Search
FooDB:FDB002557
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 angelica dahurica
Search Trop Picture
 lemon fruit oil
Search Trop Picture
 lemon oil
Search Trop Picture
 
Synonyms:
 byak-angelicin
(R)-9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
7H-furo(3,2-g)(1)benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-, (R)-
 

Articles:

PubMed:Spectrum Effect Relationship and Component Knock-Out in Angelica Dahurica Radix by High Performance Liquid Chromatography-Q Exactive Hybrid Quadrupole-Orbitrap Mass Spectrometer.
PubMed:Coumarins from the roots of Angelica dahurica cause anti-allergic inflammation.
PubMed:Simultaneous determination and pharmacokinetics of sixteen Angelicae dahurica coumarins in vivo by LC-ESI-MS/MS following oral delivery in rats.
PubMed:[Chemical constituents from polarity part in roots of Angelica dahurica var. formosana cv. Chuanbaizhi].
PubMed:[Chemical constituents from lipophilic parts in roots of Angelica dahurica var. formosana cv. Chuanbaizhi].
PubMed:[Quantitative determination of three active ingredients for quality evaluation of Angelica dahurica].
PubMed:Separation of chemical constituents from three plant medicines by counter-current chromatography using a three-phase solvent system at a novel ratio.
PubMed:[Chemical constituents of Angelica nitida roots].
PubMed:Simultaneous determination of 13 chemical marker compounds in Gwakhyangjeonggi-san, a herbal formula, with validated analytical methods.
PubMed:Coumarin derivatives, but not coumarin itself, cause skin irritation via topical delivery.
PubMed:Identification of the absorbed constituents after oral administration of Yuanhu Zhitong prescription extract and its pharmacokinetic study by rapid resolution liquid chromatography/quadrupole time-of-flight.
PubMed:Anti-tumor effects of various furocoumarins isolated from the roots, seeds and fruits of Angelica and Cnidium species under ultraviolet A irradiation.
PubMed:[Study on the coumarin glucosides of Angelica dahurica].
PubMed:[A new natural product from root of Angelica dahurica cv. Qibaizhi].
PubMed:Biotransformation products of phellopterin by rat liver microsomes and the inhibition on NO production in LPS-activated RAW264.7 cells.
PubMed:[Study on absorption ingredients of yuanhuzhitong pill by everted intestinal sac method].
PubMed:Sodium desoxycholate-assisted capillary electrochromatography with methacrylate ester-based monolithic column on fast separation and determination of coumarin analogs in Angelica dahurica extract.
PubMed:Simultaneous quantification of 17 constituents from Yuanhu Zhitong tablet using rapid resolution liquid chromatography coupled with a triple quadrupole electrospray tandem mass spectrometry.
PubMed:Byakangelicin induces cytochrome P450 3A4 expression via transactivation of pregnane X receptors in human hepatocytes.
PubMed:An efficient strategy based on MAE, HPLC-DAD-ESI-MS/MS and 2D-prep-HPLC-DAD for the rapid extraction, separation, identification and purification of five active coumarin components from Radix Angelicae Dahuricae.
PubMed:beta-secretase inhibitory effects of furanocoumarins from the root of Angelica dahurica.
PubMed:Supercritical fluid extraction for identification and determination of volatile metabolites from Angelica dahurica by GC-MS.
PubMed:[Studies on chemical constituents of the roots of Angelica pubescens].
PubMed:[Studies on chemical constituents from fruits of Paliurus ramosissimus].
PubMed:Separation and quantitative analysis of coumarin compounds from Angelica dahurica (Fisch. ex Hoffm) Benth. et Hook. f by pressurized capillary electrochromatography.
PubMed:Agents protecting against sepsis from the roots of Angelica dahurica.
PubMed:[Studies on quality standards of radix Angelicae dahuricae].
PubMed:Antioxidative activity of furanocoumarins isolated from Angelicae dahuricae.
PubMed:Identification of new urinary metabolites of byakangelicin, a component of Angelicae dahuricae Radix, in rats.
PubMed:Constituents of Peucedanum zenkeri seeds and their antimicrobial effects.
PubMed:Inhibitory effects of furanocoumarins isolated from the roots of Angelica dahurica on prostaglandin E2 production.
PubMed:[Studies on chemical constituents of Peucedanum medium Dunn var. garcile Dunn ex Shan at Sheh].
PubMed:Crystal structure of byakangelicin (C17H18O7).
PubMed:Furocoumarins from Angelica dahurica with hepatoprotective activity on tacrine-induced cytotoxicity in Hep G2 cells.
PubMed:Minor furocoumarins of Murraya koenigii.
PubMed:Antiproliferative constituents from umbelliferae plants. V. A new furanocoumarin and falcarindiol furanocoumarin ethers from the root of Angelica japonica.
PubMed:Effect of byakangelicin, an aldose reductase inhibitor, on galactosemic cataracts, the polyol contents and Na(+), K(+)ATPase activity in sciatic nerves of strepto-zotocin-induced diabetic rats.
PubMed:Histamine-release effectors from Angelica dahurica var. dahurica root.
PubMed:Studies on the antitumor-promoting activity of naturally occurring substances. II. Inhibition of tumor-promoter-enhanced phospholipid metabolism by umbelliferous materials.
PubMed:Endocrinological studies on plant products. 8. Inhibitory effect of byakangelicin on and presence of sulphydryl group in pregnant mare's serum gonadotropin.
PubMed:Endocrinological studies on plant products: VII. Further evidences on the presence of sulphydryl group in human chorionic gonadotropin and mechanism of action of byakangelicin.
PubMed:Effect of byakangelicin on placental gonadotropins.
PubMed:Endocrinological studies on plant products: V. Effect of byakangelicin on female sex hormones & on fertility of rats.
 
Notes:
Constit. of Japanese drug byakusi obt. from Angelica spp. Also from lemon oil and other Citrus spp. [DFC]
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