Compound Identification
SMILES
[Ca].OC(=O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)CC1=CC=CC=C1.OC(=O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)CC1=CC=CC=C1
InChIKey
InChIKey=NCGAXULNYQOFAD-FMEJWYFOSA-N
Formula
C38H50CaN2O6
Mass
670.904
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
Isoindolines Isoindoles N-acylpyrrolidines Benzene and substituted derivatives Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Isoindoline - Isoindole - Isoindole or derivatives - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen 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