Compound Identification
SMILES
O=C(COC1=CC=C(C=CC(=O)C2=CC=CC=C2)C=C1)N1CCN(CC1)C1=CC=CC=C1
InChIKey
InChIKey=FRXRUVNVFQKNNB-UHFFFAOYSA-N
Formula
C27H26N2O3
Mass
426.516
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 N-arylpiperazines Phenylpiperazines Aniline and substituted anilines Aryl ketones Benzoyl derivatives Dialkylarylamines Styrenes Phenol ethers Phenoxy compounds Alkyl aryl ethers Tertiary carboxylic acid amides Acryloyl compounds Enones Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - N-arylpiperazine - Phenylpiperazine - Cinnamic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Styrene - Aryl ketone - Tertiary aliphatic/aromatic amine - Benzoyl - Phenoxy compound - Alkyl aryl ether - Piperazine - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Ketone - Carboxamide group - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen 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