Compound Identification
SMILES
COC1=NC2=C(N=C([C@H]([C@@H](CC(=O)C3=CC=CC=C3)C3=CC=CC=C3)C(N2)C2=CC=CC=C2)C2=CC=CC=C2)C(=O)N1C
InChIKey
InChIKey=QRRSMCPVXLEZGY-KHHFXIDFSA-N
Formula
C36H32N4O3
Mass
568.677
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 Retro-dihydrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
-
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
Retro-dihydrochalcones
Alternative Parents
Alkyl-phenylketones Pyrimidodiazepines Butyrophenones Benzoyl derivatives Aryl alkyl ketones Pyrimidones 1,4-diazepines Alkyl aryl ethers Imidolactams Vinylogous amides Heteroaromatic compounds Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Pyrimidodiazepine - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Para-diazepine - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ketimine - Ketone - Lactam - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available