Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=CC=C1C=CC(=O)N1CCC2(CCN(C2)C(=O)CSC2=NC=CC(=N2)C2=CC=CC=N2)CC1

InChIKey

InChIKey=ABYHYYZWKUPSMW-UHFFFAOYSA-N

Formula

C30H33N5O3S

Mass

543.69

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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

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumaric acid or derivatives - Azaspirodecane - N-acyl-piperidine - Styrene - Phenoxy compound - Aryl thioether - Phenol ether - N-acylpyrrolidine - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Piperidine - Pyrimidine - Pyridine - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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