Compound Identification
SMILES
COC1=CC=C(\C=C\C(=O)C2=CC3=C(OC2=O)C=CC(Br)=C3)C=C1
InChIKey
InChIKey=KJAQBCDMXPABMS-XBXARRHUSA-N
Formula
C19H13BrO4
Mass
385.213
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
Coumarins and derivatives 1-benzopyrans Styrenes Phenoxy compounds Anisoles Methoxybenzenes Aryl ketones Pyranones and derivatives Alkyl aryl ethers Aryl bromides Acryloyl compounds Heteroaromatic compounds Enones Lactones Oxacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Coumarin - 1-benzopyran - Benzopyran - Phenoxy compound - Phenol ether - Styrene - Aryl ketone - Anisole - Methoxybenzene - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Acryloyl-group - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Ketone - Lactone - Ether - Organoheterocyclic compound - Oxacycle - Organic oxide - Organooxygen compound - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Organohalogen compound - Organobromide - 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