Compound Identification
SMILES
[Mg++].CCOC(CC1=CC=C(OCCN2C(CC)=NC3=CC=CC=C3C2=O)C=C1)C([O-])=O.CCOC(CC1=CC=C(OCCN2C(CC)=NC3=CC=CC=C3C2=O)C=C1)C([O-])=O
InChIKey
InChIKey=IDLFHYIDADWWPH-UHFFFAOYSA-L
Formula
C46H50MgN4O10
Mass
843.229
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
Quinazolines Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid salts Lactams Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives Organic oxides Organic zwitterions
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - Quinazoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - Lactam - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Organic zwitterion - 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