Compound Identification
SMILES
COC1=C(OC(=O)C=CC2=CC=CC=C2)C=CC(C=CC(=O)C2=CC=C(Br)C=C2)=C1
InChIKey
InChIKey=YWJXKHACJVNOGI-UHFFFAOYSA-N
Formula
C25H19BrO4
Mass
463.327
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
Cinnamic acid esters Phenol esters Styrenes Phenoxy compounds Anisoles Methoxybenzenes Aryl ketones Benzoyl derivatives Alkyl aryl ethers Fatty acid esters Bromobenzenes Aryl bromides Acryloyl compounds Enones Enoate esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Cinnamic acid ester - Phenol ester - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Anisole - Aryl ketone - Methoxybenzene - Bromobenzene - Alkyl aryl ether - Fatty acid ester - Halobenzene - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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