Compound Identification
SMILES
COc1cc(\C=C(/Cl)C(=O)c2ccc(N)c(c2)N(C)C)cc2OCCOc12
InChIKey
InChIKey=FPTINALVNXRNHJ-ZSOIEALJSA-N
Formula
C20H21ClN2O4
Mass
388.85
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 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
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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
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Benzo-1,4-dioxanes Aniline and substituted anilines Anisoles Aryl ketones Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Para dioxins Enones Acryloyl compounds Alpha-chloroketones Chloroalkenes Vinyl chlorides Oxacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Anisole - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Aryl ketone - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Benzenoid - Para-dioxin - Alpha-haloketone - Alpha,beta-unsaturated ketone - Alpha-chloroketone - Enone - Acryloyl-group - Tertiary amine - Ketone - Oxacycle - Organoheterocyclic compound - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Primary amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available