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Chemical structure of Avenanthramide A

GC72858

Avenanthramide A

Also known as 5-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid

Avenanthramide A is a ptoalexin, which can be found in oats (Avena sativa L

ChemicalCAS108605-70-5MW299.28FormulaC16H13NO5
CAS number
108605-70-5
Molecular weight
299.28
Formula
C16H13NO5
Solubility
DMSO ： 100 mg/mL (334·14 mM; Need ultrasonic)
InChIKey
QGUMNWHANDITDB-FPYGCLRLSA-N
Catalogue number
GC72858
Brand
GLPBIO
Computed properties PubChem CID 5281157 · XLogP 2.6 · TPSA 107 Ų · H-bond donors 4
XLogP
2.6
TPSA
107 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22

SMILES C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=C(C=C2)O)C(=O)O)O

Computed descriptors from PubChem (CID 5281157), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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