Compound Identification
SMILES
NC1=C(C#N)[C@H](C2=CC(Cl)=CC=C2)C2=C(O1)C=C(O)C=C2
InChIKey
InChIKey=UNJGGJRBTSRRPN-OAHLLOKOSA-N
Formula
C16H11ClN2O2
Mass
298.73
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 Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketene acetal or derivatives - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organochloride - 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