108605-69-2
Product Name:
5-Hydroxy-2-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoic acid
Formula:
C17H15NO6
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 246 °C |
COMPUTED DESCRIPTORS
| Molecular Weight | 329.30 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 329.08993720 g/mol |
| Monoisotopic Mass | 329.08993720 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 480 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Avenanthramide B is a monohydroxybenzoic acid resulting from the formal condensation of the carboxy group of ferulic acid with the amino group of 2-amino-5-hydroxybenzoic acid. It is an oat phytoalexin produced in response to pathogen attack and elicitation. It has a role as a phytoalexin, an antineoplastic agent and an apoptosis inducer. It is a monohydroxybenzoic acid, a member of cinnamamides, a secondary carboxamide, a monomethoxybenzene, a member of phenols and an amidobenzoic acid. It is functionally related to a ferulic acid. It is a conjugate acid of an avenanthramide B(1-).