Compound Identification
SMILES
[Ca++].[O-]C(=O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)CC1=CC=CC=C1.[O-]C(=O)[C@H](CC(=O)N1C[C@@H]2CCCC[C@H]2C1)CC1=CC=CC=C1
InChIKey
InChIKey=PMRVFZXOCRHXFE-MTIMSJFKSA-L
Formula
C38H48CaN2O6
Mass
668.888
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Isoindoles Isoindolines N-acylpyrrolidines Benzene and substituted derivatives Tertiary carboxylic acid amides Amino acids Tertiary amines Carboxylic acid salts Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic calcium salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Isoindole or derivatives - Isoindole - Isoindoline - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Carboxylic acid salt - Tertiary amine - Amino acid - Carboxamide group - Amino acid or derivatives - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic calcium salt - Azacycle - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available