EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

xanthotoxol
2-propenoic acid, 3-(6,7-dihydroxy-5-benzofuranyl)-, d-lactone

Supplier Sponsors

Name:9-hydroxyfuro[3,2-g]chromen-7-one
CAS Number: 2009-24-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:217-923-1
FDA UNII: Search
Nikkaji Web:J7.847F
Beilstein Number:0189491
MDL:MFCD00017408
XlogP3:1.60 (est)
Molecular Weight:202.16562000
Formula:C11 H6 O4
BioActivity Summary:listing
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
Melting Point: 249.00 to 251.00 °C. @ 760.00 mm Hg
Boiling Point: 428.00 to 429.00 °C. @ 760.00 mm Hg (est)
Flash Point: 415.00 °F. TCC ( 212.70 °C. ) (est)
logP (o/w): 1.405 (est)
Soluble in:
 water, 7279 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.
Xanthotoxol 98%
BOC Sciences
For experimental / research use only.
Xanthotoxol >98.0%
Odor: characteristic
Use: Xanthotoxol is a furanocoumarin which is from Cnidium dubium, Cryptodiscus didymus (preferred genus name Prangos) etc, It is one of the major active ingredients in Cnidium monnieri. Anti-inflammatory Anti-arrhythmia
Carbosynth
For experimental / research use only.
Xanthotoxol
ExtraSynthese
For experimental / research use only.
Xanthotoxol (HPLC) ≥90%
 
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:
oral-rat LD50 480 mg/kg
Journal of Ethnopharmacology. Vol. 36, Pg. 239, 1992.

intraperitoneal-mouse LD50 468 mg/kg
Journal of Ethnopharmacology. Vol. 36, Pg. 239, 1992.

oral-mouse LD > 1000 mg/kg
Journal of Ethnopharmacology. Vol. 36, Pg. 239, 1992.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for xanthotoxol usage levels up to:
 not for fragrance use.
 
Recommendation for xanthotoxol 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 :65090
National Institute of Allergy and Infectious Diseases:Data
9-hydroxyfuro[3,2-g]chromen-7-one
Chemidplus:0002009247
 
References:
 9-hydroxyfuro[3,2-g]chromen-7-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):65090
Pubchem (sid):135022172
 
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):C00841
HMDB (The Human Metabolome Database):HMDB29457
FooDB:FDB000578
Export Tariff Code:2932.29.6000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia: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
Search Trop Picture
 angelica seed .02%
Search Trop Picture
 apple wood apple fruit
Search Trop Picture
 cnidium monnieri
Search Trop Picture
 fig leaf
Search Trop Picture
 parsley
Search Trop Picture
 parsnip plant
Search Trop Picture
 parsnip seed
Search Trop Picture
 
Synonyms:
6,7-dihydroxy-5-benzofuran acrylic acid gamma-lactone
7H-furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-
7H-furo[3, 2-g][1]benzopyran-7-one, 9-hydroxy-
7H-furo[3,2-g][1]benzopyran-7-one, 9-hydroxy-
8-hydroxy-4':5',6:7-furocoumarin
9-hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one
9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one
9-hydroxy-7h-furo[3,2-g]chromen-7-one
8-hydroxyfuran-2,3,6,7-coumarin
9-hydroxyfurano[3,2-g]chromen-2-one
8-hydroxyfuranocoumarin
9-hydroxyfuro[3,2-g]chromen-7-one
8-hydroxypsoralen
8-hydroxypsoralene
2-propenoic acid, 3-(6,7-dihydroxy-5-benzofuranyl)-, d-lactone
 psoralen, 8-hydroxy-
 

Articles:

PubMed:Simultaneous determination of imperatorin and its metabolites in vitro and in vivo by a GC-MS method: application to a bioavailability and protein binding ability study in rat plasma.
PubMed:Simultaneous determination of imperatorin and its metabolite xanthotoxol in rat plasma by using HPLC-ESI-MS coupled with hollow fiber liquid phase microextraction.
PubMed:A new phenolic glycoside from Cnidium monnieri fruits.
PubMed:[Study on the coumarin glucosides of Angelica dahurica].
PubMed:Xanthotoxol exerts neuroprotective effects via suppression of the inflammatory response in a rat model of focal cerebral ischemia.
PubMed:[A new natural product from root of Angelica dahurica cv. Qibaizhi].
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:New biological activities of Casimiroa edulis leaf extract and isolated compounds.
PubMed:Antifibrotic activity of coumarins from Cnidium monnieri fruits in HSC-T6 hepatic stellate cells.
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:Quantitative analysis of nine coumarins in rat urine and bile after oral administration of Radix Glehniae extract by high-performance liquid chromatography-electrospray ionization tandem mass spectrometry.
PubMed:Biotransformation of bergapten and xanthotoxin by Glomerella cingulata.
PubMed:Synthesis of methyl-substituted xanthotoxol to clarify prooxidant effect of methyl on radical-induced oxidation of DNA.
PubMed:Differentiation of four pairs of furocoumarin isomers by electrospray ionization tandem mass spectrometry.
PubMed:Biotransformation of isoimperatorin and imperatorin by Glomerella cingulata and beta-secretase inhibitory activity.
PubMed:[A new coumarin glycoside from Glehnia littoralis].
PubMed:Aspergillus niger metabolism of citrus furanocoumarin inhibitors of human cytochrome P450 3A4.
PubMed:[Studies on chemical constituents from fruits of Paliurus ramosissimus].
PubMed:High-performance liquid chromatographic method for the determination and pharmacokinetic study of oxypeucedanin hydrate and byak-angelicin after oral administration of Angelica dahurica extracts in mongrel dog plasma.
PubMed:Antimycobacterial activity of geranylated furocoumarins from Tetradium daniellii.
PubMed:[Studies on chemical constituents in roots of Heracleum rapula].
PubMed:Separation and quantitative analysis of coumarin compounds from Angelica dahurica (Fisch. ex Hoffm) Benth. et Hook. f by pressurized capillary electrochromatography.
PubMed:[Calcium antagonistic effect of Xanthotoxol on isolated guinea pig atria].
PubMed:Biotransformation of imperatorin by Aspergillus flavus.
PubMed:Preparative isolation of osthol and xanthotoxol from Common Cnidium Fruit (Chinese traditional herb) using stepwise elution by high-speed counter-current chromatography.
PubMed:Furanocoumarin biosynthesis in Ammi majus L. Cloning of bergaptol O-methyltransferase.
PubMed:[Effect of xanthnotoxol on contraction of rabbit thoracic aortic strips].
PubMed:Antioxidative activity of natural products from plants.
PubMed:Protein orientation in the Tat-TAR complex determined by psoralen photocross-linking.
PubMed:Coumarins and antiplatelet aggregation constituents from Formosan Peucedanum japonicum.
PubMed:[Chemical composition of Pleurospermym rivulorum (Diels)].
PubMed:[Chemical constituents of Notopterygium incisum Ting].
PubMed:Photooxygenation of some potentially skin-photosensitizing hydroxyfurocoumarins. Part 2: Xanthotoxol and bergaptol.
PubMed:Evaluation of xanthotoxol for central nervous system activity.
PubMed:Fate of [(14)C]xanthotoxin (8-methoxypsoralen) in laying hens and a lactating goat.
PubMed:Cytotoxic effect of xanthotoxol (8-hydroxypsoralen) on TCTC cells in vitro.
PubMed:Induction of defense responses in cultured parsley cells by plant cell wall fragments.
PubMed:Occurrence of phytoalexins and other putative defense-related substances in uninfected parsley plants.
PubMed:Inactivation and mutagenesis by phototoxins usingEscherichia coli strains differing in sensitivity to near- and far-ultraviolet light.
PubMed:Separation of the S-adenosylmethionine: 5- and 8-hydroxyfuranocoumarin O-methyltransferases of Ruta graveolens L. by general ligand affinity chromatography.
PubMed:Xanthotoxol (XT) - a potent 5-HT antagonist.
PubMed:Pharmacological activity of coumarins isolated from Afraegle paniculata; Part II.
PubMed:New syntheses of xanthotoxol and xanthotoxin.
 
Notes:
Isol. from Aegle marmelos (bael fruit), Angelica archangelica (angelica) and the seeds of Pastinaca sativa (parsnip)
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