Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(C=CC(=O)C2=C3C=CC=C4C5=NC6=CC=CC=C6N5C(=O)C(C=C2)=C34)=C1
InChIKey
InChIKey=BEMKGTSYLVHLJP-UHFFFAOYSA-N
Formula
C27H15N3O4
Mass
445.434
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
Cinnamic acids and derivatives Isoquinolones and derivatives Naphthalenes Benzimidazoles Imidazo[1,2-a]pyridines Nitrobenzenes Styrenes Aryl ketones Nitroaromatic compounds Pyridinones N-substituted imidazoles Acryloyl compounds Enones Heteroaromatic compounds Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Isoquinolone - Naphthalene - Isoquinoline - Nitrobenzene - Imidazo[1,2-a]pyridine - Benzimidazole - Aryl ketone - Nitroaromatic compound - Styrene - Pyridinone - N-substituted imidazole - Benzenoid - Pyridine - Monocyclic benzene moiety - Enone - Imidazole - Alpha,beta-unsaturated ketone - Azole - Acryloyl-group - Heteroaromatic compound - Organic nitro compound - Ketone - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - 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