datiscetin
3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4-benzopyrone
 
Notes:
None found
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CAS Number: 480-15-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 207-541-3
FDA UNII: M8C5EH705I
Nikkaji Web: J6.162J
Beilstein Number: 0039982
MDL: MFCD00017307
XlogP3: 1.90 (est)
Molecular Weight: 286.23990000
Formula: C15 H10 O6
BioActivity Summary: listing
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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PubMed: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 563.88 °C. @ 760.00 mm Hg (est)
Flash Point: 426.00 °F. TCC ( 218.90 °C. ) (est)
logP (o/w): 3.429 (est)
Soluble in:
 water, 1191 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:
ExtraSynthese
For experimental / research use only.
Datiscetin (HPLC) ≥99%
Sigma-Aldrich
For experimental / research use only.
≥Datiscetin =99.0% (HPLC)
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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 datiscetin usage levels up to:
 not for fragrance use.
 
Recommendation for datiscetin 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 : 5281610
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 3,5,7-trihydroxy-2-(2-hydroxyphenyl)chromen-4-one
Chemidplus: 0000480159
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References:
 3,5,7-trihydroxy-2-(2-hydroxyphenyl)chromen-4-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5281610
Pubchem (sid): 135080101
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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
CHEMBL: View
KEGG (GenomeNet): C10036
HMDB (The Human Metabolome Database): Search
ChemSpider: View
Wikipedia: 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
 not found in nature
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Synonyms:
4H-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(2-hydroxyphenyl)-
2',3,5,7-tetrahydroxyflavone
3,5,7,2'-tetrahydroxyflavone
3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4-benzopyrone
3,5,7-trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one
3,5,7-trihydroxy-2-(2-hydroxyphényl)-4h-chromén-4-one
3,5,7-trihydroxy-2-(2-hydroxyphenyl)chromen-4-one
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Articles:
PubMed: Indirect activation of the SV23 and SV24 splice variants of human constitutive androstane receptor: analysis with 3-hydroxyflavone and its analogues.
PubMed: Small molecule inhibitors of the HPV16-E6 interaction with caspase 8.
PubMed: Kinetic and stoichiometric assessment of the antioxidant activity of flavonoids by electron spin resonance spectroscopy.
PubMed: Fungitoxic phenols from carnation (Dianthus caryophyllus) effective against Fusarium oxysporum f. sp. dianthi.
PubMed: Activity of plant flavonoids against antibiotic-resistant bacteria.
PubMed: Inhibitory effects of phenolic compounds on CCl4-induced microsomal lipid peroxidation.
PubMed: Structure-activity relationships of polymethoxyflavones and other flavonoids as inhibitors of non-enzymic lipid peroxidation.
PubMed: Superoxide scavenging properties of flavonoids in a non-enzymic system.
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