Compound Identification
SMILES
COC1=C(C=CC(=O)C2C(=O)OC(C)=CC2=O)C=C(Br)C=C1
InChIKey
InChIKey=XEMIIWVZEYNDED-UHFFFAOYSA-N
Formula
C16H13BrO5
Mass
365.179
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 Anisoles Methoxybenzenes Alkyl aryl ethers Beta-diketones Bromobenzenes Dihydropyranones Aryl bromides Acryloyl compounds Enol esters Enones Cyclic ketones Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Halobenzene - Alkyl aryl ether - Dihydropyranone - 1,3-diketone - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Alpha,beta-unsaturated ketone - Enol ester - Acryloyl-group - Enone - Cyclic ketone - Carboxylic acid ester - Lactone - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Ether - Organohalogen compound - Organobromide - Aldehyde - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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