Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)CC(C#N)C1=CC=CC=C1Cl
InChIKey
InChIKey=SJCFORCEMXXOCU-UHFFFAOYSA-N
Formula
C17H14ClNO2
Mass
299.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
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Subclass
Chalcones and dihydrochalcones
-
Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retro-dihydrochalcones
Alternative Parents
Alkyl-phenylketones Butyrophenones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Nitriles Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Phenol ether - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Anisole - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Ketone - Carbonitrile - Nitrile - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available