Compound Identification
SMILES
CCOC(=O)C(C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=DQUDFOJOMXYMSR-UHFFFAOYSA-N
Formula
C25H21BrO4
Mass
465.343
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Dibenzylbutane lignans
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Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Dibenzylbutane lignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzylbutane lignans
Alternative Parents
Retro-dihydrochalcones Stilbenes Alkyl-phenylketones Butyrophenones Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Beta-keto acids and derivatives Bromobenzenes Fatty acid esters 1,3-dicarbonyl compounds Aryl bromides Vinylogous halides Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dibenzylbutane lignan skeleton - Retro-dihydrochalcone - Linear 1,3-diarylpropanoid - Stilbene - Alkyl-phenylketone - Butyrophenone - Phenylketone - Gamma-keto acid - Benzoyl - Aryl alkyl ketone - Aryl ketone - Halobenzene - Fatty acid ester - Bromobenzene - Beta-keto acid - Aryl bromide - Keto acid - Aryl halide - Monocyclic benzene moiety - Fatty acyl - 1,3-dicarbonyl compound - Benzenoid - Vinylogous halide - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.
External Descriptors
Not available