Compound Identification
SMILES
[Na+].C[C@@H](O)[C@H]1[C@H]2CC(=C(N2C1=O)C([O-])=O)C1=CC=C(CN2C=NN=C2)C=C1
InChIKey
InChIKey=HOVMHEMNGRTPHQ-QWIXCXMLSA-M
Formula
C18H17N4NaO4
Mass
376.348
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 Benzene and substituted derivatives Pyrroles Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Azetidines Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organonitrogen compounds
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 - Monocyclic benzene moiety - Benzenoid - Azole - Beta-lactam - Heteroaromatic compound - 1,2,4-triazole - Tertiary carboxylic acid amide - Pyrrole - Pyrroline - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary alcohol - Organic alkali metal salt - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Alcohol - Organic salt - Organooxygen compound - Organic zwitterion - Organic sodium salt - Organic oxygen compound - 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