crocin 4
 
Notes:
None found
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CAS Number: 55750-86-2Picture of molecule3D/inchi
Nikkaji Web: J41.478F
XlogP3-AA: 3.90 (est)
Molecular Weight: 504.57672000
Formula: C27 H36 O9
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 0.3079 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 crocin 4 usage levels up to:
 not for fragrance use.
 
Recommendation for crocin 4 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 : 101606290
National Institute of Allergy and Infectious Diseases: Data
 1-O-methyl 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
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References:
 1-O-methyl 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 101606290
Pubchem (cas): 55750-86-2
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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
KEGG (GenomeNet): C00744
HMDB (The Human Metabolome Database): HMDB39122
FooDB: FDB018632
VCF-Online: VCF Volatile Compounds in Food
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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
 saffron silk stigma style
Search Trop  Picture
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Synonyms:
1-O-methyl 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
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Articles:
PubMed: A strategy for identification and structural characterization of compounds from Gardenia jasminoides by integrating macroporous resin column chromatography and liquid chromatography-tandem mass spectrometry combined with ion-mobility spectrometry.
PubMed: Can bioactive compounds of Crocus sativus L. influence the metabolic activity of selected CYP enzymes in the rat?
PubMed: Optimization of ultrasound-assisted extraction of gardenia fruit oil with bioactive components and their identification and quantification by HPLC-DAD/ESI-MS(2).
PubMed: Systematic separation and purification of iridoid glycosides and crocetin derivatives from Gardenia jasminoides Ellis by high-speed counter-current chromatography.
PubMed: Influence of culinary processing time on saffron's bioactive compounds (Crocus sativus L.).
PubMed: Characterisation of secondary metabolites in saffron from central Italy (Cascia, Umbria).
PubMed: Comparison of different tandem mass spectrometric techniques (ESI-IT, ESI- and IP-MALDI-QRTOF and vMALDI-TOF/RTOF) for the analysis of crocins and picrocrocin from the stigmas of Crocus sativus L.
PubMed: Potential of Crocus sativus (saffron) and its constituent, crocin, as hypolipidemic and antioxidant in rats.
PubMed: Protective effect of Crocus sativus stigma extract and crocin (trans-crocin 4) on methyl methanesulfonate-induced DNA damage in mice organs.
PubMed: Inhibition of breast cancer cell proliferation by style constituents of different Crocus species.
PubMed: Inhibitory activity on amyloid-beta aggregation and antioxidant properties of Crocus sativus stigmas extract and its crocin constituents.
PubMed: [In vitro evaluation of the chemopreventive potential of saffron].
PubMed: Simultaneous quantification of five major biologically active ingredients of saffron by high-performance liquid chromatography.
PubMed: Effects of crocin analogs on ocular blood flow and retinal function.
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