Compound Identification
SMILES
CCCC1=NC2=C(C)C=C(C=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C(=O)CCC1=CC(CO[N+]([O-])=O)=CC=C1)C1=NC2=CC=CC=C2N1C
InChIKey
InChIKey=GDDMVVDGIOZKTG-UHFFFAOYSA-N
Formula
C42H39N5O4
Mass
677.805
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
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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
Retro-dihydrochalcones
Alternative Parents
Alkyl-phenylketones Biphenyls and derivatives Butyrophenones Benzimidazoles Aryl alkyl ketones Benzoyl derivatives N-substituted imidazoles Alkyl nitrates Heteroaromatic compounds Organic nitric acids and derivatives Organic nitro compounds Azacyclic compounds Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Biphenyl - Butyrophenone - Benzimidazole - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Alkyl nitrate - Imidazole - Organic nitrate - Azole - Organic nitro compound - Ketone - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic zwitterion - 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