Compound Identification
SMILES
OC(=O)C1=CC=CC=C1NC(=O)C(=C\C1=CC(=C(O)C=C1)[N+]([O-])=O)\C#N
InChIKey
InChIKey=QXVAPXNXICPKQD-YRNVUSSQSA-N
Formula
C17H11N3O6
Mass
353.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Level 5
Hydroxycinnamic acids
- Level 6 Avenanthramides
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Level 5
Hydroxycinnamic acids
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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 Nitrophenols Anilides Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds N-arylamides 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Nitriles Organic oxides Carbonyl compounds Organic salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Avenanthramide - N-cinnamoylanthranilic acid - Acylaminobenzoic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid amide - Nitrophenol - Nitrobenzene - Anilide - Benzoic acid or derivatives - Benzoic acid - N-arylamide - Nitroaromatic compound - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Nitrile - Carbonitrile - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Carbonyl group - Organic oxide - Organonitrogen compound - Cyanide - Organooxygen 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