Structure Information
Structure

Compound Identification

SMILES

CC(=N)N1CCC(CC1)OC1=CC=C(C=C1)C(=O)NCCOC1=C(\C=C\C(O)=O)C=CC(=C1)C(N)=N

InChIKey

InChIKey=QFRGCOMVPQLLQV-AZUOLFAESA-N

Formula

C26H31N5O5

Mass

493.564

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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 - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Piperidine - Carboxamide group - Secondary carboxylic acid amide - Amidine - Azacycle - Carboxylic acid amidine - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Carboximidamide - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organonitrogen 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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