Compound Identification
SMILES
COC1=CC=C(\C=C\C(=O)C2=CC(C[NH+]3CCCCC3)=C(O)C=C2)C=C1
InChIKey
InChIKey=HAXFDNFRSMIJKS-YRNVUSSQSA-O
Formula
C22H26NO3
Mass
352.453
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
Cinnamylphenols N-benzylpiperidines Cinnamic acids and derivatives Styrenes Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Aryl ketones Benzoyl derivatives Benzylamines 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Acryloyl compounds Quaternary ammonium salts Enones Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamylphenol - N-benzylpiperidine - Benzylpiperidine - Cinnamic acid or derivatives - Phenol ether - Phenylmethylamine - Styrene - Phenoxy compound - Anisole - Aryl ketone - Benzylamine - Methoxybenzene - Benzoyl - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Benzenoid - Piperidine - Monocyclic benzene moiety - Acryloyl-group - Alpha,beta-unsaturated ketone - Quaternary ammonium salt - Enone - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Amine - Organonitrogen compound - Organic cation - 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