Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)C(\CN1CCOCC1)=C\C1=CC=CC=C1
InChIKey
InChIKey=SQKNDINHFPAQQM-NBVRZTHBSA-N
Formula
C20H20BrNO2
Mass
386.289
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
Aryl ketones Benzoyl derivatives Bromobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl bromides Morpholines Beta-amino ketones Acryloyl compounds Enones Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Morpholine - Alpha-branched alpha,beta-unsaturated-ketone - Oxazinane - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organobromide - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic 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