Compound Identification
SMILES
CC1=CC=C(C=C1)C(\[O-])=C/C(=O)CCCO
InChIKey
InChIKey=QOOKWTVDHDWHEO-UKTHLTGXSA-M
Formula
C13H15O3
Mass
219.261
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
Fatty alcohols Styrenes Toluenes Vinylogous acids Enones Acryloyl compounds Ketones Primary alcohols Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Fatty alcohol - Styrene - Toluene - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Acryloyl-group - Enone - Vinylogous acid - Alpha,beta-unsaturated ketone - Ketone - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Primary alcohol - Organic oxygen compound - Organic anion - 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