Compound Identification
SMILES
COC1=CC=C(\C=C\C(=O)C2=NC3=C(N2)C=CC=N3)C=C1
InChIKey
InChIKey=LAGXNHODBCWJEI-RMKNXTFCSA-N
Formula
C16H13N3O2
Mass
279.299
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
Imidazopyridines Styrenes Phenoxy compounds Methoxybenzenes Anisoles Aryl ketones Alkyl aryl ethers Pyridines and derivatives Acryloyl compounds Imidazoles Heteroaromatic compounds Enones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Imidazopyridine - Anisole - Phenoxy compound - Phenol ether - Styrene - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Alpha,beta-unsaturated ketone - Azole - Acryloyl-group - Heteroaromatic compound - Enone - Imidazole - Ketone - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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