Compound Identification
SMILES
COC1=CC(C[N+](C)(C)C)=C(C=C1)C(=O)\C=C\C1=C(OCC[N+](C)(C)C)C=CC(=C1)C1=CC(C)=CC(C)=C1
InChIKey
InChIKey=ZFNJZWYIQFSDNM-GXDHUFHOSA-N
Formula
C33H44N2O3
Mass
516.725
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
Biphenyls and derivatives Cinnamic acids and derivatives Anisoles Aryl ketones Benzoyl derivatives Benzylamines m-Xylenes Methoxybenzenes Phenoxy compounds Phenylmethylamines Styrenes Aralkylamines Alkyl aryl ethers Cholines Tetraalkylammonium salts Enones Acryloyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Biphenyl - Cinnamic acid or derivatives - Anisole - Benzoyl - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Styrene - Aryl ketone - Methoxybenzene - Xylene - M-xylene - Alkyl aryl ether - Choline - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Ether - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic cation - Aromatic homomonocyclic 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