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xanthochymol
bicyclo(3.3.1)non-3-ene-2,9-dione, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-butenyl)-5-(5-methyl-2-(1-methylethenyl)-5-hexenyl)-, (1S-

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Name:(3Z)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
CAS Number: 52617-32-0Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:10.60 (est)
Molecular Weight:602.81170000
Formula:C38 H50 O6
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
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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: 712.50 °C. @ 760.00 mm Hg (est)
Flash Point: 750.00 °F. TCC ( 398.70 °C. ) (est)
logP (o/w): 10.863 (est)
Soluble in:
 water, 1.624e-008 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.
XANTHOCHYMOL 95%
 
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 xanthochymol usage levels up to:
 not for fragrance use.
 
Recommendation for xanthochymol 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 :5476629
National Institute of Allergy and Infectious Diseases:Data
(3Z)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
Chemidplus:0052617320
 
References:
 (3Z)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5476629
Pubchem (sid):135056169
 
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):C09979
HMDB (The Human Metabolome Database):HMDB30608
FooDB:FDB002504
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
 garcinia pyrifera fruit
Search Trop Picture
 garcinia xanthochymus
Search Trop Picture
 
Synonyms:
 bicyclo(3.3.1)non-3-ene-2,9-dione, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-butenyl)-5-(5-methyl-2-(1-methylethenyl)-5-hexenyl)-, (1S-
(3Z)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
 

Articles:

PubMed:Garcinia benzophenones inhibit the growth of human colon cancer cells and synergize with sulindac sulfide and turmeric.
PubMed:Cuban and Brazilian red propolis: botanical origin and comparative analysis by high-performance liquid chromatography-photodiode array detection/electrospray ionization tandem mass spectrometry.
PubMed:Benzophenones and biflavonoids from Rheedia edulis.
PubMed:Benzophenones and biflavonoids from Garcinia livingstonei fruits.
PubMed:Cytotoxic polyisoprenyl benzophenonoids from Garcinia subelliptica.
PubMed:[Chemical constituents from twigs of Garcinia xipshuanbannaensis].
PubMed:Growth inhibition of colon cancer cells by polyisoprenylated benzophenones is associated with induction of the endoplasmic reticulum response.
PubMed:Cytotoxic activities of xanthochymol and isoxanthochymol substantiated by LC-MS/MS.
PubMed:High-performance liquid chromatography and LC-ESI-MS method for the identification and quantification of two biologically active polyisoprenylated benzophenones xanthochymol and isoxanthochymol in different parts of Garcinia indica.
PubMed:Identification and quantification of two biologically active polyisoprenylated benzophenones xanthochymol and isoxanthochymol in Garcinia species using liquid chromatography-tandem mass spectrometry.
PubMed:New cytotoxic guttiferone analogues from Garcinia virgata from New Caledonia.
PubMed:Bioactive benzophenones from Garcinia xanthochymus fruits.
PubMed:Cytotoxic benzophenone derivatives from Garcinia species display a strong apoptosis-inducing effect against human leukemia cell lines.
PubMed:Polyisoprenylated benzophenones in cuban propolis; biological activity of nemorosone.
PubMed:Structure-activity relationship of polyisoprenyl benzophenones from Garcinia pyrifera on the tubulin/microtubule system.
PubMed:Antibacterial activity of some Garcinia benzophenone derivatives against methicillin-resistant Staphylococcus aureus.
 
Notes:
isolated from the fruits of garcinia pyrifera collected in malaysia. Constit. of the famine food Garcinia xanthochymus
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