Structure Information
Structure

Compound Identification

SMILES

CN(CCOC1=C(\C=C\C(O)=O)C=CC(CN2C=CC=N2)=C1)C(=O)C1=CC=CC=C1

InChIKey

InChIKey=BAQYMRVJACKALV-ZHACJKMWSA-N

Formula

C23H23N3O4

Mass

405.454

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Coumaric acids and derivatives

Direct Parent

Coumaric acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid - Coumaric acid - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrazole - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids. These are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

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