Compound Identification
SMILES
COC1=C(C=C2N(C(C)=C(C(C)=O)C2=C1)C1=CC=C(C)C=C1)C(=O)\C=C\C1=CC=C(Cl)C=C1
InChIKey
InChIKey=OODJFNZFSGTLOD-NTEUORMPSA-N
Formula
C28H24ClNO3
Mass
457.95
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
Phenylpyrroles Indoles Styrenes Anisoles Aryl alkyl ketones Toluenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous amides Acryloyl compounds Heteroaromatic compounds Enones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 1-phenylpyrrole - Indole or derivatives - Indole - Anisole - Phenol ether - Aryl alkyl ketone - Aryl ketone - Styrene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Substituted pyrrole - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Acryloyl-group - Heteroaromatic compound - Enone - Vinylogous amide - Alpha,beta-unsaturated ketone - Pyrrole - Ketone - Ether - Organoheterocyclic compound - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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