Compound Identification
SMILES
CN(C)C1=CC=C(COC2=CC(=CC3=C2C(C)(C)CCC3(C)C)C(=O)\C=C\C2=CC(O)=C(C=C2)C(O)=O)C=C1
InChIKey
InChIKey=CRNNBNAUVLRTSN-GXDHUFHOSA-N
Formula
C33H37NO5
Mass
527.661
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
-
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
Hydroxycinnamic acids and derivatives Tetralins Salicylic acids Benzoic acids Aniline and substituted anilines Aryl ketones Benzoyl derivatives Dialkylarylamines Styrenes Phenol ethers 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Vinylogous acids Enones Amino acids Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Retrochalcone - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Salicylic acid or derivatives - Salicylic acid - Tetralin - Hydroxybenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aryl ketone - Phenol ether - Tertiary aliphatic/aromatic amine - Styrene - Dialkylarylamine - Aniline or substituted anilines - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Acryloyl-group - Vinylogous acid - Enone - Alpha,beta-unsaturated ketone - Amino acid or derivatives - Amino acid - Tertiary amine - Ketone - Ether - Carboxylic acid - Carboxylic acid derivative - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic 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