Structure Information
Structure

Compound Identification

SMILES

CN1C=C2C=CC(=CC2=N1)[C@@]1(C)N=C(N)N(C)C(=O)[C@@H]1C(CC(=O)\C=C\C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=OTNBAJVRUQIKJE-PGFRMLFESA-N

Formula

C31H31N5O2

Mass

505.622

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - Benzopyrazole - Indazole - Styrene - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - 1,4,5,6-tetrahydropyrimidine - Acryloyl-group - Azole - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Pyrazole - Guanidine - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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