Compound Identification
SMILES
COC1=CC=CC=C1C=CC(=O)C1COCN1
InChIKey
InChIKey=BAVZROYHOCSCFZ-UHFFFAOYSA-N
Formula
C13H15NO3
Mass
233.267
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 Methoxybenzenes Anisoles Alkyl aryl ethers Oxazolidines Enones Acryloyl compounds Ketones Hemiaminals Secondary amines Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Anisole - Phenol ether - Styrene - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Oxazolidine - Hemiaminal - Ketone - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - 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