Compound Identification
SMILES
OC(=O)C1=CC=CC=C1NC(=O)C(=C\C1=CC(Br)=C(O)C=C1)\C#N
InChIKey
InChIKey=RMHNKKCJKDDPDR-YRNVUSSQSA-N
Formula
C17H11BrN2O4
Mass
387.189
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
-
Level 5
Hydroxycinnamic acids
- Level 6 Avenanthramides
-
Level 5
Hydroxycinnamic acids
-
Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Hydroxycinnamic acids
Direct Parent
Avenanthramides
Alternative Parents
N-cinnamoylanthranilic acids Acylaminobenzoic acid and derivatives Coumaric acids and derivatives Anilides Benzoic acids N-arylamides Benzoyl derivatives O-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous amides Secondary carboxylic acid amides Nitriles Carboxylic acids Organobromides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Avenanthramide - N-cinnamoylanthranilic acid - Acylaminobenzoic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid amide - Benzoic acid or derivatives - Benzoic acid - Anilide - 2-halophenol - 2-bromophenol - N-arylamide - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Bromobenzene - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Nitrile - Carbonitrile - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as avenanthramides. These are a group of phenolic alkaloids consisting of conjugate of three phenylpropanoids (ferulic, caffeic, or p-coumaric acid) and anthranilic acid.
External Descriptors
Not available