Compound Identification
SMILES
O=C(\C=C\C1=CC=C(\C=C/C(=O)C2=CC(=CC=C2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)C=C1)C1=CC(=CC=C1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
InChIKey
InChIKey=PQXXVDIJRHWNPM-PFAWOWAWSA-N
Formula
C42H32N2O6
Mass
660.726
Taxonomic Classification
Taxonomy Tree
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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 Phenylpyrrolidines Isoindolones Styrenes Benzoyl derivatives Aryl ketones Pyrrolidine-2-ones N-substituted carboxylic acid imides Acryloyl compounds Enones Dicarboximides Pyrroles Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - 1-phenylpyrrolidine - Isoindolone - Isoindoline - Isoindole or derivatives - Benzoyl - Aryl ketone - Styrene - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - 2-pyrrolidone - Pyrrolidone - Acryloyl-group - Carboxylic acid imide - Dicarboximide - Enone - Alpha,beta-unsaturated ketone - Pyrrolidine - Pyrrole - Ketone - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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