Compound Identification
SMILES
O=C(NC1=CC=CC(C=CC(=O)C2=CC=CC=C2)=C1)C1=CC=C(C=C1)N1C(=O)C2=C(C=C(C=C2)C(=O)NC2=CC=CC(C=CC(=O)C3=CC=CC=C3)=C2)C1=O
InChIKey
InChIKey=SJOOTSDVAVWWKD-UHFFFAOYSA-N
Formula
C46H31N3O6
Mass
721.769
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
Benzanilides Cinnamic acids and derivatives Phthalimides Isoindoles Benzamides Styrenes Aryl ketones Benzoyl derivatives N-substituted carboxylic acid imides Acryloyl compounds Enones Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Benzanilide - Aromatic anilide - Cinnamic acid or derivatives - Phthalimide - Isoindolone - Isoindoline - Benzamide - Isoindole - Benzoic acid or derivatives - Isoindole or derivatives - Benzoyl - Aryl ketone - Styrene - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Carboxylic acid imide - Ketone - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen 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