Compound Identification
SMILES
COCCCN1C(=NC(=O)C=CC2=CC=CC=C2)C(=CC2=C1N=C1N(C=CC=C1C)C2=O)C#N
InChIKey
InChIKey=JSOFHLWXABNFSF-UHFFFAOYSA-N
Formula
C26H23N5O3
Mass
453.502
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
Pyrido[2,3-d]pyrimidines Styrenes Pyrimidones Methylpyridines Vinylogous amides Heteroaromatic compounds N-acylimines Lactams Nitriles Dialkyl ethers Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Styrene - Methylpyridine - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - N-acylimine - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - 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