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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18O8
Molecular Weight 338.3093
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-P-COUMAROYLQUINIC ACID

SMILES

O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@@H]1O)C(O)=O

InChI

InChIKey=BMRSEYFENKXDIS-OTCYKTEZSA-N
InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H18O8
Molecular Weight 338.3093
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Description

5-P-Coumaroylquinic acid is a cinnamate ester formed by condensation of the carboxyl group of 4-coumaric acid with the 5-hydroxy group of (-)-quinic acid. It is a naturally occuring compound in coffee, Ixeris sonchifolia and Aloe barbadensis. 5-P Coumaroylquinic acid and related compounds are reported to have antioxidant properties.

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
4C4BU5688G
Record Status Validated (UNII)
Record Version