isogentisin
 
Notes:
None found
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CAS Number: 491-64-5Picture of molecule3D/inchi
Nikkaji Web: J11.768D
MDL: MFCD00210570
XlogP3-AA: 2.80 (est)
Molecular Weight: 258.22970000
Formula: C14 H10 O5
NMR Predictor: Predict (works with chrome 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 Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
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PubMed: Search
NCBI: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 4.015 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Carbosynth
For experimental / research use only.
isoGentisin
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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
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for isogentisin usage levels up to:
 not for fragrance use.
 
Recommendation for isogentisin flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System: Search
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5281640
National Institute of Allergy and Infectious Diseases: Data
 1,3-dihydroxy-7-methoxyxanthen-9-one
Chemidplus: 0000491645
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References:
 1,3-dihydroxy-7-methoxyxanthen-9-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5281640
Pubchem (cas): 491-64-5
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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
KEGG (GenomeNet): C10070
HMDB (The Human Metabolome Database): HMDB30871
FooDB: FDB002832
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 gentiana lutea root
Search Trop  Picture
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Synonyms:
1,3-dihydroxy-7-methoxyxanthen-9-one
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Articles:
PubMed: Phytochemical analysis and antibacterial activity of Gentiana macrophylla extract against bacteria isolated from burn wound infections.
PubMed: Chromatographic Evaluation and Characterization of Components of Gentian Root Extract Used as Food Additives.
PubMed: Comparative HPLC/ESI-MS and HPLC/DAD study of different populations of cultivated, wild and commercial Gentiana lutea L.
PubMed: Induction of apoptosis in human pancreatic MiaPaCa-2 cells through the loss of mitochondrial membrane potential (ΔΨm) by Gentiana kurroo root extract and LC-ESI-MS analysis of its principal constituents.
PubMed: Chemical profile, radical scavenging and cytotoxic activity of yellow gentian leaves (Genitaneae luteaefolium) grown in northern regions of Montenegro.
PubMed: Antihyperalgesic activity of the methanol extract and some constituents obtained from Polygala cyparissias (Polygalaceae).
PubMed: Antiulcerogenic activity of extract, fractions, and some compounds obtained from Polygala cyparissias St. Hillaire & Moquin (Polygalaceae).
PubMed: Antimicrobial activity of Gentiana lutea L. extracts.
PubMed: Determination of gentisin, isogentisin, and amarogentin in Gentiana lutea L. by capillary electrophoresis.
PubMed: Quantitative analysis of iridoids, secoiridoids, xanthones and xanthone glycosides in Gentiana lutea L. roots by RP-HPLC and LC-MS.
PubMed: Isogentisin--a novel compound for the prevention of smoking-caused endothelial injury.
PubMed: Mutagenicities of xanthone derivatives in Salmonella typhimurium TA100, TA98, TA97, and TA2637.
PubMed: Mutagenic activities of gentisin and isogentisin from Gentianae radix (Gentianaceae).
PubMed: Inhibition of type A and type B monoamine oxidase by isogentisin and its 3-O-glucoside.
PubMed: Inhibition of monoamine oxidase by isogentisin and its 3-O-glucoside.
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