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