Compound Identification
SMILES
CCOC1=CC(OCC)=C(Br)C=C1C(O)=CC(=O)C(=O)OC
InChIKey
InChIKey=DHSQBXJAETYOQR-UHFFFAOYSA-N
Formula
C15H17BrO6
Mass
373.199
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 Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Fatty acid esters Alpha-keto acids and derivatives Aryl bromides Vinylogous acids Acryloyl compounds Methyl esters Enones Ketones Monocarboxylic acids and derivatives Enols Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Styrene - Phenol ether - Alkyl aryl ether - Bromobenzene - Fatty acid ester - Halobenzene - Alpha-keto acid - Aryl bromide - Fatty acyl - Aryl halide - Monocyclic benzene moiety - Benzenoid - Keto acid - Acryloyl-group - Vinylogous acid - Alpha,beta-unsaturated ketone - Methyl ester - Enone - Carboxylic acid ester - Ketone - Enol - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - 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