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Chemical structure of 4-O-p-Coumaroylquinic acid

GC26405

4-O-p-Coumaroylquinic acid

Also known as trans-(3R,5R)-1,3,5-trihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid

4-O-p-Coumaroylquinic acid (4-O-pCoQA) is a hydroxycinnamic acid extracted from the skin and pulp of papaya, which can be used as a biomarker for the identification of biomarkers associated with rose apple aphid resistance

ChemicalCAS53539-37-0MW338.31FormulaC16H18O8
CAS number
53539-37-0
Molecular weight
338.31
Formula
C16H18O8
InChIKey
XWRHBGVVCOSNKO-LGTQLRDQSA-N
Catalogue number
GC26405
Brand
GLPBIO
Computed properties PubChem CID 442782 · XLogP -0.1 · TPSA 145 Ų · H-bond donors 5
XLogP
-0.1
TPSA
145 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
24

SMILES C1[C@H](C([C@@H](CC1(C(=O)O)O)O)OC(=O)C=CC2=CC=C(C=C2)O)O

Computed descriptors from PubChem (CID 442782), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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