Theogallin

Theogallin
Names
	Preferred IUPAC name (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
	Other names 3-O-Galloylquinic acid
Identifiers
CAS Number	17365-11-6 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:9522 ;
ChemSpider	391291 ;
PubChem CID	442988;
UNII	N8GTS57R32 ;
CompTox Dashboard (EPA)	DTXSID60332031 ;
	InChI InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1 Key: LDPLFHGGZNSKDS-FTBFGRRBSA-N ;
	SMILES O=C(O)[C@]2(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C2;
Properties
Chemical formula	C14H16O10
Molar mass	344.27 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Theogallin is a trihydroxybenzoic acid glycoside, a type of polyphenolic compound found in tea where it has been characterised as an umami enhancing compound. The compound can also be found in Arbutus unedo fruits.

In rats, theogallin, or its metabolite quinic acid, can move through the blood brain barrier and can have cognition enhancing activities.

Names

Preferred IUPAC name (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]cyclohexane-1-carboxylic acid
Other names 3-O-Galloyl quinic acid
Identifiers
CAS Number	17365-11-6^N
3D model (JSmol)	Interactive image
ChEBI	CHEBI:9522^Y
ChemSpider	391291^Y
PubChem CID	442988
UNII	N8GTS57R32^Y
CompTox Dashboard (EPA)	DTXSID60332031
InChI InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1^Y Key: LDPLFHGGZNSKDS-FTBFGRRBSA-N^Y
SMILES O=C(O)[C@]2(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C2
Properties
Chemical formula	C₁₄H₁₆O₁₀
Molar mass	344.27 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references