Compound Identification
SMILES
OC(CN1C=NC=N1)(CC1=CC=CC=C1)C(=O)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=AFQCVQPSMMHHRB-UHFFFAOYSA-N
Formula
C18H15Cl2N3O2
Mass
376.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
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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 Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes Acyloins Aryl chlorides Heteroaromatic compounds Tertiary alcohols Vinylogous halides Triazoles Alpha-hydroxy ketones Azacyclic compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - 1,3-dichlorobenzene - Benzoyl - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Acyloin - Aryl halide - Aryl chloride - Vinylogous halide - Alpha-hydroxy ketone - 1,2,4-triazole - Tertiary alcohol - Azole - Heteroaromatic compound - Ketone - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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