Compound Identification
SMILES
COC1=C(O)C(Br)=CC(\C=C(/C#N)C(=O)NC2=CC=CC=C2C(O)=O)=C1
InChIKey
InChIKey=GPNMKPDQTLDWLF-IZZDOVSWSA-N
Formula
C18H13BrN2O5
Mass
417.215
Taxonomic Classification
Taxonomy Tree
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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 Methoxyphenols Anilides Benzoic acids Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes N-arylamides O-bromophenols Bromobenzenes Alkyl aryl ethers Aryl bromides Vinylogous amides Secondary carboxylic acid amides Carboxylic acids Nitriles Hydrocarbon derivatives Carbonyl compounds Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Avenanthramide - N-cinnamoylanthranilic acid - Acylaminobenzoic acid or derivatives - Cinnamic acid amide - Methoxyphenol - Benzoic acid - Benzoic acid or derivatives - Anilide - 2-halophenol - 2-bromophenol - Phenoxy compound - Benzoyl - Phenol ether - Anisole - N-arylamide - Methoxybenzene - Phenol - Bromobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Ether - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organobromide - Organic nitrogen 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