Compound Identification
SMILES
[Fe].[CH]1[CH][CH][CH][CH]1.COC1=C(OC)C=C(\C=C\C(=O)[C]2[CH][CH][CH][CH]2)C=C1
InChIKey
InChIKey=PWELREGAIOVSBN-OJYIHNBOSA-N
Formula
C21H20FeO3
Mass
376.233
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
Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Enones Acryloyl compounds Ketones Organic transition metal salts Cycloalkenes Unsaturated aliphatic hydrocarbons Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Cinnamic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Cyclic olefin - Cycloalkene - Organic transition metal salt - Ether - Unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Olefin - Hydrocarbon - 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