dioxibrassinin
 
Notes:
None found
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CAS Number: 133761-64-5Picture of molecule3D/inchi
Nikkaji Web: J419.755K
XlogP3-AA: 1.50 (est)
Molecular Weight: 268.35904000
Formula: C11 H12 N2 O2 S2
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
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Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
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US Patents: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 6996 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:
 None found
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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 dioxibrassinin usage levels up to:
 not for fragrance use.
 
Recommendation for dioxibrassinin flavor usage levels up to:
 not for flavor use.
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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 : 11807698
National Institute of Allergy and Infectious Diseases: Data
 methyl N-[(3-hydroxy-2-oxo-1H-indol-3-yl)methyl]carbamodithioate
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References:
 methyl N-[(3-hydroxy-2-oxo-1H-indol-3-yl)methyl]carbamodithioate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 11807698
Pubchem (cas): 133761-64-5
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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
HMDB (The Human Metabolome Database): HMDB38634
FooDB: FDB018029
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
 brassica oleracea
Search Trop  Picture
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Synonyms:
 methyl N-[(3-hydroxy-2-oxo-1H-indol-3-yl)methyl]carbamodithioate
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Articles:
PubMed: The phytoalexins brassilexin and camalexin inhibit cyclobrassinin hydrolase, a unique enzyme from the fungal pathogen Alternaria brassicicola.
PubMed: Detection, characterization and identification of crucifer phytoalexins using high-performance liquid chromatography with diode array detection and electrospray ionization mass spectrometry.
PubMed: Synthesis, absolute configuration, and enantiomeric enrichment of a cruciferous oxindole phytoalexin, (S)-(-)-spirobrassinin, and its oxazoline analog.
PubMed: Strategies of cruciferous pathogenic fungi: detoxification of the phytoalexin cyclobrassinin by mimicry.
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