Compound Identification
SMILES
CCCNCC1=CC=C(C=C1)C(=O)\C=C\C1=CC=C(OC)C=C1
InChIKey
InChIKey=QHAWSRDDMQKHDW-MDWZMJQESA-N
Formula
C20H23NO2
Mass
309.409
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
-
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 Styrenes Phenylmethylamines Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Benzoyl derivatives Aryl ketones Alkyl aryl ethers Aralkylamines Acryloyl compounds Enones Dialkylamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Anisole - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Styrene - Phenoxy compound - Aryl ketone - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Secondary amine - Secondary aliphatic amine - Ether - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic 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