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-O
Formula
C21H22N3O4
Mass
380.423
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acids
-
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 Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Azetidines Tertiary amines Secondary alcohols Amino acids Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid - Carbapenem - 3-phenylpyrroline - Alpha-amino acid or derivatives - Pyrroline carboxylic acid or derivatives - Pyrroline carboxylic acid - Aminopyridine - Azepine - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyridinium - Heteroaromatic compound - Beta-lactam - Tertiary carboxylic acid amide - Pyrroline - Pyrrole - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Lactam - Tertiary amine - Secondary alcohol - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Carbonyl group - Alcohol - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic cation - 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