Compound Identification
SMILES
C[C@@H](NC1=NC(=NC(N)=N1)C1=CC=C(CC(C)(N)C(O)=O)C=C1)C1=CC2=CC=CC=C2C=C1
InChIKey
InChIKey=VTHDVXIFEQQBDD-FXBVVIMESA-N
Formula
C25H26N6O2
Mass
442.523
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
Naphthalenes Alpha amino acids Amphetamines and derivatives Phenylpropanes 1,3,5-triazine-2,4-diamines N-aliphatic s-triazines Aralkylamines 1,3,5-triazines Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Naphthalene - Phenylpropane - 2,4-diamine-s-triazine - Amino-1,3,5-triazine - Aminotriazine - Aralkylamine - N-aliphatic s-triazine - Monocyclic benzene moiety - 1,3,5-triazine - Triazine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Primary amine - Amine - 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