Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(CCO[C@](C)([C@H](OC2=NC(C)=CC(C)=N2)C(O)=O)C2=CC=CC=C2)C=C1

InChIKey

InChIKey=GQSNYWVQOYDBAU-RDGATRHJSA-N

Formula

C25H28N2O4

Mass

420.509

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-phenylpropanoic-acid - Benzylether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Monosaccharide - Pyrimidine - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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

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