Compound Identification
SMILES
CC1=CC=CC(=C1)C1C2=C(OC(N)=C1C#N)C=C(N)C=C2
InChIKey
InChIKey=LWIORCXBIBPWJQ-UHFFFAOYSA-N
Formula
C17H15N3O
Mass
277.327
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavonoids
Alternative Parents
1-benzopyrans Toluenes Ketene acetals Oxacyclic compounds Nitriles Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - 1-benzopyran - Toluene - Monocyclic benzene moiety - Benzenoid - Ketene acetal or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Cyanide - Organooxygen compound - Primary amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available