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cohumulone
5-(alpha,beta-dibromophenethyl)-5-methylhydantoin

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Name:3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
CAS Number: 511-25-1Picture of molecule3D/inchi
FDA UNII: 2Y34G4NIC8
Nikkaji Web:J22.573H
XlogP3-AA:4.00 (est)
Molecular Weight:348.43916000
Formula:C20 H28 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
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
Soluble in:
 water, 6.681 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.
Cohumulone > 95%
Odor: characteristic
Use: Cohumulone is one of three major analogues of hop a-acids, the others being adhumulone and humulone.
 
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 cohumulone usage levels up to:
 not for fragrance use.
 
Recommendation for cohumulone 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 :196915
National Institute of Allergy and Infectious Diseases:Data
3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
Chemidplus:0000511251
 
References:
 3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):196915
Pubchem (cas):511-25-1
 
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
HMDB (The Human Metabolome Database):HMDB33981
FooDB:FDB012213
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
 hop
Search Trop Picture
 
Synonyms:
2,5-cyclohexadien-1-one, 3,4,5-trihydroxy-2-isobutyryl-4,6-bis(3-methyl-2-butenyl)-
5-(alpha,beta-dibromophenethyl)-5-methylhydantoin
3,4,5-trihydroxy-2-isobutyryl-4,6-bis(3-methyl-2-butenyl)-2,5-cyclohexadien-1-one
3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
 

Articles:

PubMed:Fast Sampling, Analyses and Chemometrics for Plant Breeding: Bitter Acids, Xanthohumol and Terpenes in Lupulin Glands of Hops (Humulus lupulus).
PubMed:Vibrational spectroscopy and chemometrics for rapid, quantitative analysis of bitter acids in hops (Humulus lupulus).
PubMed:Hyperforin and deoxycohumulone as a larvicidal agent against Culex pipiens (Diptera: Culicidae).
PubMed:Simultaneous determination of prenylflavonoid and hop bitter acid in beer lee by HPLC-DAD-MS.
PubMed:Hop bitter acids inhibit tumorigenicity of hepatocellular carcinoma cells in vitro.
PubMed:[Analysis of six acidic components in hops extracts by high performance liquid chromatography].
PubMed:Prenylated acylphloroglucinol derivatives: isoprenomics-based design, syntheses and antioxidative activities.
PubMed:Evaluation of genetic variability of wild hops (Humulus lupulus L.) in Canada and the Caucasus region by chemical and molecular methods.
PubMed:18O stable isotope labeling, quantitative model experiments, and molecular dynamics simulation studies on the trans-specific degradation of the bitter tasting iso-alpha-acids of beer.
PubMed:Deodorant effects of a supercritical hops extract: antibacterial activity against Corynebacterium xerosis and Staphylococcus epidermidis and efficacy testing of a hops/zinc ricinoleate stick in humans through the sensory evaluation of axillary deodorancy.
PubMed:Effect of HLA DQ2, dietary exposure and coeliac disease on the development of antibody response to gliadin in children.
PubMed:Biosynthetic experiments with tall plants under field conditions. 18O2 incorporation into humulone from Humulus lupulus.
PubMed:Comparative chemical attributes of native North American hop, Humulus lupulus var. lupuloides E. Small.
PubMed:An improved NMR method for the quantification of alpha-acids in hops and hop products.
 
Notes:
Constit. of hops
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