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

epoxybergamottin

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Name:4-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
CAS Number: 206978-14-5Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J1.176.314F
Beilstein Number:7827230
MDL:MFCD16251690
XlogP3-AA:4.30 (est)
Molecular Weight:354.40234000
Formula:C21 H22 O5
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
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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, 0.4228 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
6',7'-Epoxybergamottin ≥98%
Carbosynth
For experimental / research use only.
Epoxybergamottin
Sigma-Aldrich
For experimental / research use only.
6',7'-Epoxybergamottin 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 epoxybergamottin usage levels up to:
 not for fragrance use.
 
Recommendation for epoxybergamottin 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 :9946625
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
 
References:
 4-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):9946625
Pubchem (cas):206978-14-5
 
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):C22153
HMDB (The Human Metabolome Database):HMDB39067
FooDB:FDB018566
VCF-Online:VCF Volatile Compounds in Food
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 grapefruit peel oil
Search Trop Picture
 
Synonyms:
4-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
 

Articles:

PubMed:Anti-Inflammatory and Neuroprotective Constituents from the Peels of Citrus grandis.
PubMed:Furocoumarin Kinetics in Plasma and Urine of Healthy Adults Following Consumption of Grapefruit (Citrus paradisi Macf.) and Grapefruit Juice.
PubMed:Development of a comprehensive analytical method for furanocoumarins in grapefruit and their metabolites in plasma and urine using UPLC-MS/MS: a preliminary study.
PubMed:Content evaluation of 4 furanocoumarin monomers in various citrus germplasms.
PubMed:Multidimensional liquid chromatography for the determination of chiral coumarins and furocoumarins in Citrus essential oils.
PubMed:Biotransformations of 6',7'-dihydroxybergamottin and 6',7'-epoxybergamottin by the citrus-pathogenic fungi diminish cytochrome P450 3A4 inhibitory activity.
PubMed:Flavonoid composition and antioxidant activity of juices from Chinotto ( Citrus x myrtifolia Raf.) fruits at different ripening stages.
PubMed:Isolation and identification of insecticidal components from Citrus aurantium fruit peel extract.
PubMed:Aspergillus niger metabolism of citrus furanocoumarin inhibitors of human cytochrome P450 3A4.
PubMed:Grapefruit juice-drug interactions: Grapefruit juice and its components inhibit P-glycoprotein (ABCB1) mediated transport of talinolol in Caco-2 cells.
PubMed:Design, synthesis and evaluation of furanocoumarin monomers as inhibitors of CYP3A4.
PubMed:Distribution of furanocoumarins in grapefruit juice fractions.
PubMed:Identification of epoxybergamottin as a CYP3A4 inhibitor in grapefruit peel.
PubMed:Grapefruit-felodipine interaction: effect of unprocessed fruit and probable active ingredients.
 
Notes:
Constit. of grapefruit (Citrus paradisi) peel oil
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