Compound Identification
SMILES
[O-]\C(=C(\[N+]#N)C(=O)C1=CC=C(C=C1)C(=O)NCCCCNC1=C2C=CC=CC2=NC2=CC=CC=C12)C1=CC=CC=C1
InChIKey
InChIKey=RYKXZKINOYTNPY-UHFFFAOYSA-N
Formula
C33H27N5O3
Mass
541.611
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
Acridines Cinnamic acids and derivatives 4-aminoquinolines Benzamides Aryl ketones Benzoyl derivatives Aminopyridines and derivatives Secondary alkylarylamines Alpha-branched alpha,beta-unsaturated ketones Enones Vinylogous acids Acryloyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Acridine - Benzoquinoline - Cinnamic acid or derivatives - Aminoquinoline - 4-aminoquinoline - Quinoline - Benzamide - Benzoic acid or derivatives - Aryl ketone - Benzoyl - Aminopyridine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyridine - Acryloyl-group - Vinylogous acid - Alpha,beta-unsaturated ketone - Enone - Heteroaromatic compound - Ketone - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Amine - Organic salt - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - 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