Compound Identification
SMILES
C[C@@H](O)[C@@H]1[C@H]2CC(=C(N2C1=O)C([O-])=O)C1=CC=C(C[N+]2=CC=C(N)C=C2)C=C1
InChIKey
InChIKey=BGIDOYOPACJTAD-NXOUGTEYSA-N
Formula
C21H21N3O4
Mass
379.416
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acids
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids
Alternative Parents
Carbapenems Phenylpyrrolines Alpha amino acids and derivatives Pyrroline carboxylic acids Azepines Aminopyridines and derivatives Benzene and substituted derivatives Pyridinium derivatives Heteroaromatic compounds Pyrroles Tertiary carboxylic acid amides Amino acids Secondary alcohols Tertiary amines Carboxylic acid salts Azetidines Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid - Carbapenem - 3-phenylpyrroline - Alpha-amino acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Aminopyridine - Benzenoid - Monocyclic benzene moiety - Pyridine - Pyridinium - Beta-lactam - Tertiary carboxylic acid amide - Pyrroline - Heteroaromatic compound - Pyrrole - Carboxamide group - Lactam - Carboxylic acid salt - Amino acid - Azetidine - Amino acid or derivatives - Secondary alcohol - Tertiary amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available