Compound Identification
SMILES
CCCCC(=CC1=CC(I)=C(O)C(I)=C1)C(O)=O
InChIKey
InChIKey=PIJGDTRFPXAHKY-UHFFFAOYSA-N
Formula
C13H14I2O3
Mass
472.061
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Hydroxycinnamic acids
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Subclass
Hydroxycinnamic acids and derivatives
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxycinnamic acids
Alternative Parents
Coumaric acids Cinnamic acids O-iodophenols Medium-chain fatty acids Iodobenzenes Hydroxy fatty acids Halogenated fatty acids Branched fatty acids Unsaturated fatty acids Aryl iodides Monocarboxylic acids and derivatives Carboxylic acids Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hydroxycinnamic acid - Coumaric acid or derivatives - Coumaric acid - Cinnamic acid - Medium-chain fatty acid - 2-iodophenol - 2-halophenol - Phenol - Iodobenzene - Hydroxy fatty acid - Halogenated fatty acid - Halobenzene - Branched fatty acid - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.
External Descriptors
Not available