Compound Identification
SMILES
OC1(CC(=O)C=CC2=CC=CC=C2)C(=O)N(CCC2=CC=CC=C2)C2=C1C=C(Br)C=C2
InChIKey
InChIKey=UWXIHMBOFMWZGZ-UHFFFAOYSA-N
Formula
C26H22BrNO3
Mass
476.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
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
Indoles and derivatives Styrenes b'-hydroxy-alpha,beta-unsaturated ketones Beta-hydroxy ketones Aryl bromides Tertiary carboxylic acid amides Tertiary alcohols Enones Acryloyl compounds Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Indole or derivatives - Styrene - B'-hydroxy-alpha,beta-unsaturated-ketone - Beta-hydroxy ketone - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Tertiary alcohol - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Carboxamide group - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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