Compound Identification
SMILES
OC1=C(O)C(Cl)=CC(\C=C\C(=O)C2=CC(Br)=CC=C2)=C1
InChIKey
InChIKey=XTNUCFBHFXIZQN-SNAWJCMRSA-N
Formula
C15H10BrClO3
Mass
353.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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
Cinnamylphenols Hydroxycinnamic acids and derivatives 3-chlorocatechols Styrenes Aryl ketones Benzoyl derivatives M-chlorophenols O-chlorophenols Chlorobenzenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Aryl bromides Enones Acryloyl compounds Organochlorides Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamylphenol - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - 3-chlorocatechol - Chlorocatechol - Benzoyl - Catechol - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - Styrene - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Bromobenzene - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Aryl bromide - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Ketone - Organochloride - Organooxygen compound - Organic oxide - Organobromide - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - 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