Compound Identification
SMILES
CCOc1ccc(cc1N(C)C)C(=O)C(\Cl)=C\c1cc2OCOc2c(OC)c1
InChIKey
InChIKey=PKPZHVAMICWKPR-NVNXTCNLSA-N
Formula
C21H22ClNO5
Mass
403.86
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 Retrochalcones
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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
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Aminophenyl ethers Benzodioxoles Phenoxy compounds Aniline and substituted anilines Anisoles Aryl ketones Dialkylarylamines Benzoyl derivatives Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Alpha-chloroketones Enones Acetals Oxacyclic compounds Vinyl chlorides Chloroalkenes Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzodioxole - Aminophenyl ether - Tertiary aliphatic/aromatic amine - Phenol ether - Aryl ketone - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - Anisole - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Enone - Alpha-haloketone - Alpha-chloroketone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Tertiary amine - Acetal - Oxacycle - Chloroalkene - Haloalkene - Ether - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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