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fumarprotocetraric acid
((7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo(b,E)(1,4)dioxepin-9-yl)methyl) hydrogen fumarate

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CAS Number: 489-50-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:207-698-8
FDA UNII: 5VJ6J3A960
Nikkaji Web:J167.418H
MDL:MFCD00016760
XlogP3-AA:2.50 (est)
Molecular Weight:472.35992000
Formula:C22 H16 O12
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
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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
Boiling Point: 805.71 °C. @ 760.00 mm Hg (est)
Flash Point: 541.00 °F. TCC ( 282.50 °C. ) (est)
logP (o/w): 4.693 (est)
Soluble in:
 water, 0.2152 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.
FUMARPROTOCETRARIC ACID
Carbosynth
For experimental / research use only.
Fumarprotocetraric Acid
 
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 fumarprotocetraric acid usage levels up to:
 not for fragrance use.
 
Recommendation for fumarprotocetraric acid 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 :5358397
National Institute of Allergy and Infectious Diseases:Data
4-(3-carboxyprop-2-enoyloxymethyl)-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
Chemidplus:0000489509
 
References:
 4-(3-carboxyprop-2-enoyloxymethyl)-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5358397
Pubchem (sid):135056327
 
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
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
((7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo(b,E)(1,4)dioxepin-9-yl)methyl) hydrogen fumarate
4-(3-carboxyprop-2-enoyloxymethyl)-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
 

Articles:

PubMed:Antitrypanosomal activity & docking studies of isolated constituents from the lichen Cetraria islandica: possibly multifunctional scaffolds.
PubMed:Expectorant and antioxidant activities of purified fumarprotocetraric acid from Cladonia verticillaris lichen in mice.
PubMed:Lichenic extracts and metabolites as UV filters.
PubMed:Antimicrobial and antibiofilm activity of secondary metabolites of lichens against methicillin-resistant Staphylococcus aureus strains from cystic fibrosis patients.
PubMed:Antibacterial activity of selected metabolites from Chilean lichen species against methicillin-resistant staphylococci.
PubMed:Antioxidant and antimicrobial properties of some lichens and their constituents.
PubMed:High acidity tolerance in lichens with fumarprotocetraric, perlatolic or thamnolic acids is correlated with low pKa1 values of these lichen substances.
PubMed:Cladonia peziziformis (Lichenized Ascomycota, Cladoniaceae) New to Korea.
PubMed:Susceptibility to acidic precipitation contributes to the decline of the terricolous lichens Cetraria aculeata and Cetraria islandica in central Europe.
PubMed:Solubilization of poorly soluble lichen metabolites for biological testing on cell lines.
PubMed:Cytotoxic activity of compounds from the lichen: Cladonia convoluta.
PubMed:The antimicrobial activity of extracts of the lichen Cladonia foliacea and its (-)-usnic acid, atranorin, and fumarprotocetraric acid constituents.
PubMed:An investigation of the allergenic constituents of Cladonia stellaris (Opiz) Pous & Vezda ('silver moss', 'reindeer moss' or 'reindeer lichen').
PubMed:Contact allergy to atranorin in lichens and perfumes.
 
Notes:
None found
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