Compound Identification
SMILES
CCN(CC)C1=CC=C(C=C1)C(=O)CC(C1CCNCC1)C1=CC=CC=C1NC(=O)NC1=CC(=NN1C1=CC=C(C)C=C1)C(C)(C)C
InChIKey
InChIKey=CTASRONEWITEKR-UHFFFAOYSA-N
Formula
C39H50N6O2
Mass
634.869
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 Phenylpyrazoles Butyrophenones N-phenylureas Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Toluenes Aralkylamines Piperidines Heteroaromatic compounds Ureas Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylpyrazole - N-phenylurea - Phenylketone - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl ketone - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Toluene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperidine - Azole - Heteroaromatic compound - Pyrazole - Urea - Tertiary amine - Ketone - Azacycle - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Amine - Organic nitrogen compound - Aromatic heteromonocyclic 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