EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

agnuside
buddlejoside A

Supplier Sponsors

Name:[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
CAS Number: 11027-63-7Picture of molecule3D/inchi
Other(deleted CASRN):31712-40-0
FDA UNII: JB24Q0OT9G
Nikkaji Web:J924.701G
MDL:MFCD00210471
XlogP3-AA:-1.10 (est)
Molecular Weight:466.44042000
Formula:C22 H26 O11
BioActivity Summary:listing
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
Boiling Point: 785.50 °C. @ 760.00 mm Hg (est)
Flash Point: 524.00 °F. TCC ( 273.50 °C. ) (est)
logP (o/w): -1.240 (est)
Soluble in:
 water, 2.435e+004 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.
Agnuside
Carbosynth
For experimental / research use only.
Agnuside
ExtraSynthese
For experimental / research use only.
Agnuside (HPLC) ≥99%
Santa Cruz Biotechnology
For experimental / research use only.
Agnusid
Sigma-Aldrich: Sigma
For experimental / research use only.
Agnuside ≥95% (LC/MS-ELSD)
sds
 
Safety Information:
Preferred SDS: View
 
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 agnuside usage levels up to:
 not for fragrance use.
 
Recommendation for agnuside 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 :442416
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
Chemidplus:0011027637
 
References:
 [(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:11027-63-7
Pubchem (cid):442416
Pubchem (sid):163639544
 
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
CHEMBL:View
KEGG (GenomeNet):C09765
HMDB (The Human Metabolome Database):HMDB36561
FooDB:FDB015465
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
 chasteberry
Search Trop Picture
 
Synonyms:
 buddlejoside A
[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
 

Articles:

PubMed:Quality evaluation of medicinal products and health foods containing chaste berry (Vitex agnus-castus) in Japanese, European and American markets.
PubMed:Low potency homeopathic remedies and allopathic herbal medicines: is there an overlap?
PubMed:Synthesis of novel lipidated iridoid glycosides as vaccine adjuvants: 6-O-palmitoyl Agnuside elicit strong Th1 and Th2 response to ovalbumin in mice.
PubMed:Compounds from the Fruits of the Popular European Medicinal Plant Vitex agnus-castus in Chemoprevention via NADP(H):Quinone Oxidoreductase Type 1 Induction.
PubMed:Development and validation of a rapid ultra-high performance liquid chromatography diode array detector method for Vitex agnus-castus.
PubMed:Anti-arthritic activity of agnuside mediated through the down-regulation of inflammatory mediators and cytokines.
PubMed:Validated high performance thin layer chromatographic method for simultaneous quantification of major iridoids in Vitex trifolia and their antioxidant studies.
PubMed:Opioidergic mechanisms underlying the actions of Vitex agnus-castus L.
PubMed:A new iridoid glycoside from Vitex negundo Linn (Verbenacea).
PubMed:Modulation of P-glycoprotein ATPase activity by some phytoconstituents.
PubMed:Evaluation of the estrogenic activity of the constituents in the fruits of Vitex rotundifolia L. for the potential treatment of premenstrual syndrome.
PubMed:Structural revision of some recently published iridoid glucosides.
PubMed:New acylated iridoid glucosides from Vitex altissima.
PubMed:Glucosides from Vitex agnus-castus.
PubMed:Iridoid glycosides from Globularia davisiana.
PubMed:Iridoids with anti-inflammatory activity from Vitex peduncularis.
PubMed:Pharmacologically active components of viticis fructus (Vitex rotundifolia). II. The components having analgesic effects.
 
Notes:
Isol. from Vitex agnus-castus (agnus castus)
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