Compound Identification
SMILES
[O-][N+](=O)C1=CC(C=C(C#N)C(=O)C2=CC(=CC=C2)[N+]([O-])=O)=C(C=C1)N1CCCCC1
InChIKey
InChIKey=YNTXHNHYBTWJFP-UHFFFAOYSA-N
Formula
C21H18N4O5
Mass
406.398
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
Phenylpiperidines Cinnamic acids and derivatives Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds Aryl ketones Dialkylarylamines Benzoyl derivatives Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Phenylpiperidine - Cinnamic acid or derivatives - Nitrobenzene - Aryl ketone - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Nitroaromatic compound - Benzoyl - Piperidine - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - C-nitro compound - Organic nitro compound - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organic oxygen compound - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic cation - 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