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khellin
5H-furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-methyl-

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Name:4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
CAS Number: 82-02-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:201-392-8
FDA UNII: 5G117T0TJZ
Nikkaji Web:J24.827D
Beilstein Number:0263185
MDL:MFCD00005007
XlogP3-AA:2.30 (est)
Molecular Weight:260.24564000
Formula:C14 H12 O5
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:pharmaceuticals / chemical synthisis
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: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
Melting Point: 154.50 °C. @ 760.00 mm Hg
Boiling Point: 482.10 °C. @ 760.00 mm Hg (est)
Flash Point: 426.00 °F. TCC ( 218.80 °C. ) (est)
logP (o/w): 1.770 (est)
Soluble in:
 water, 1040 mg/L @ 25 °C (exp)
 water, 56.98 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.
Khellin > 98%
Odor: characteristic
Use: Khellin isolated from the herbs of Ammi visnaga. It may be beneficial in the management of kidney stone disease caused by hyperoxaluria. anti-inflammatory and analgesic properties
ExtraSynthese
For experimental / research use only.
Khellin (HPLC) ≥95%
Santa Cruz Biotechnology
For experimental / research use only.
Khellin
Sigma-Aldrich
For experimental / research use only.
Khellin
analytical standard
TCI AMERICA
For experimental / research use only.
Khellin >95.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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:
pharmaceuticals / chemical synthisis
Recommendation for khellin usage levels up to:
 not for fragrance use.
 
Recommendation for khellin flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA GENetic TOXicology:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3828
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
Chemidplus:0000082020
RTECS:LV1050000 for cas# 82-02-0
 
References:
 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):3828
Pubchem (sid):134970592
 
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
Metabolomics Database:Search
KEGG (GenomeNet):C09010
HMDB (The Human Metabolome Database):Search
FooDB:FDB016112
Export Tariff Code:2932.90.4100
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
 soursop
Search Trop Picture
 
Synonyms:
 coronin
4,9-dimethoxy-7-methyl-5H-furo(3,2-g)(1)benzopyran-5-one
4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
5H-furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-methyl-
 
 
Notes:
Constit. of the roots of Annona muricata (soursop) [DFC] Coronin refers to an acetogenin extracted from soursop. Not to be confused with a family of actin binding proteins interacting with microtubules. [FooDB]
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