Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C[C@H]([C@@H]1[C@H](NC2=C(N=C1C1=CC=C(OC)C=C1)C(=O)N(C)C(OC)=N2)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=JWPABUAPGKXSPU-LEEDBYTESA-N
Formula
C38H36N4O5
Mass
628.729
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 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 Butyrophenones Pyrimidodiazepines Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones 1,4-diazepines Imidolactams Heteroaromatic compounds Vinylogous amides Ketimines Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Pyrimidodiazepine - Phenylketone - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Para-diazepine - Pyrimidone - Imidolactam - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Ketimine - Lactam - Ketone - Organic 1,3-dipolar compound - Organoheterocyclic compound - Ether - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxide - Imine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - 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