1,2,6-tri-O-galloyl-beta-D-glucose, 79886-49-0

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CODE149541 CODE149541
Product(s):
79886-49-0 1,2,6-Tri-O-galloylglucose

Name:	[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
CAS Number:	79886-49-0	3D/inchi
FDA UNII:	Search
Nikkaji Web:	J303.465H
XlogP3-AA:	0.40 (est)
Molecular Weight:	636.47388000
Formula:	C27 H24 O18
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
Soluble in:
	water, 512.4 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.

1,2,6-Tri-O-galloylglucose

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 1,2,6-tri-O-galloyl-beta-D-glucose usage levels up to:
	not for fragrance use.

Recommendation for 1,2,6-tri-O-galloyl-beta-D-glucose 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 :440308

National Institute of Allergy and Infectious Diseases:Data

[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Chemidplus:0079886490

References:

	[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	440308
Pubchem (cas):	79886-49-0

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):	C04360
HMDB (The Human Metabolome Database):	HMDB39182
FooDB:	FDB018710
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

	blackberry fruit Search Trop Picture
	pomegranate leaf Search Trop Picture
	raspberry red raspberry fruit Search Trop Picture
	rhubarb root Search Trop Picture

Synonyms:

[(2R,3S,4S,5R,6S)-3,4-	dihydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
beta-D-	glucopyranose, 1,2,6-tris(3,4,5-trihydroxybenzoate)

Articles:

PubMed:Inhibitory effects of constituents from Euphorbia lunulata on differentiation of 3T3-L1 cells and nitric oxide production in RAW264.7 cells.

PubMed:Galloyl glucoses from the seeds of Cornus officinalis with inhibitory activity against protein glycation, aldose reductase, and cataractogenesis ex vivo.

PubMed:Hydrolyzable tannins of tamaricaceous plants. III. Hellinoyl- and macrocyclic-type ellagitannins from Tamarix nilotica.

PubMed:Antiviral compounds from traditional Chinese medicines Galla Chinese as inhibitors of HCV NS3 protease.

PubMed:Galloyl esters from rhubarb are potent inhibitors of squalene epoxidase, a key enzyme in cholesterol biosynthesis.

PubMed:Biosynthesis of gallotannins : Enzymatic 'disproportionation' of 1,6-digalloylglucose to 1,2,6-trigalloylglucose and 6-galloylglucose by an acyltransferase from leaves of Rhus typhina L.

PubMed:Tannins of cornaceous plants. I. Cornusiins A, B and C, dimeric monomeric and trimeric hydrolyzable tannins from Cornus officinalis, and orientation of valoneoyl group in related tannins.

PubMed:Biosynthesis of gallotannins. Enzymatic conversion of 1,6-digalloylglucose to 1,2,6-trigalloylglucose.

Notes:

Isol. from Rubus fruticosus (blackberry) and Rubus idaeus (raspberry)

1,2,6-tri-O-galloyl-beta-D-glucose beta-D-glucopyranose, 1,2,6-tris(3,4,5-trihydroxybenzoate)

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Articles:

1,2,6-tri-O-galloyl-beta-D-glucose
beta-D-glucopyranose, 1,2,6-tris(3,4,5-trihydroxybenzoate)