Compound Identification
SMILES
CCN(CC)C1=CC=C(\C=C\C(=O)C2=CC=C(N\C=C3\C=NC4=CC=CC=C34)C=C2)C=C1
InChIKey
InChIKey=OVMUFHFWIFSJIH-ILOQPQHWSA-N
Formula
C28H27N3O
Mass
421.544
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 Indoles and derivatives Styrenes Aniline and substituted anilines Aryl ketones Benzoyl derivatives Dialkylarylamines Secondary alkylarylamines Acryloyl compounds Enones Azacyclic compounds Enamines Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Imines Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Indole or derivatives - Tertiary aliphatic/aromatic amine - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Styrene - Aryl ketone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Tertiary amine - Enamine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Amine - Imine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen 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