Compound Identification
SMILES
C[C@](N)(CC1=CC(O)=C(O)C=C1)C(O)=O.COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC
InChIKey
InChIKey=ROZMNJYUPZQAES-CICJTZRQSA-N
Formula
C24H31N5O7
Mass
501.54
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
Amphetamines and derivatives D-alpha-amino acids Phenylpropanes Phenoxy compounds Anisoles Catechols Methoxybenzenes Alkyl aryl ethers Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Monoalkylamines Organic oxides
Molecular Framework
Not available
Substituents
3-phenylpropanoic-acid - D-alpha-amino acid - Amphetamine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Phenylpropane - Phenol ether - Methoxybenzene - Catechol - Phenoxy compound - Anisole - Phenol - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Pyrimidine - Benzenoid - Imidolactam - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Azacycle - Carboxylic acid - Primary amine - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Amine - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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