Compound Identification
SMILES
CCOC(=O)C(CC)(CC)C(=O)C=CC1=CC=C(Br)C=C1
InChIKey
InChIKey=COBBHAGEVJOWSY-UHFFFAOYSA-N
Formula
C17H21BrO3
Mass
353.256
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
Styrenes Fatty acid esters Bromobenzenes Beta-keto acids and derivatives Aryl bromides Enones Acryloyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Beta-keto acid - Bromobenzene - Fatty acid ester - Halobenzene - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Keto acid - Aryl halide - Aryl bromide - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic 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