Theogallin

Theogallin
	Chemical structure of 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 Â°C [77 Â°F], 100 kPa). verify (what is ?) Infobox references

Theogallin is a trihydroxybenzoic acid glycoside, a type of polyphenolic compound found in tea^[1] where it has been characterised as an umami enhancing compound.^[2] The compound can also be found in Arbutus unedo fruits.^[3]

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In rats, theogallin, or its metabolite quinic acid, can move through the blood brain barrier and can have cognition enhancing activities.^[4]

References

Names
Chemical structure of theogallin
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 Â°C [77 Â°F], 100 kPa). N verify (what is ^YN ?) Infobox references