Compound Identification
SMILES
COC1=C(O)C(Br)=CC(C=CC(=O)C2=CC=CC=C2Br)=C1
InChIKey
InChIKey=JGHDLHOZRXKISZ-UHFFFAOYSA-N
Formula
C16H12Br2O3
Mass
412.077
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
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 Methoxyphenols Anisoles Aryl ketones Benzoyl derivatives Styrenes Methoxybenzenes Phenoxy compounds O-bromophenols Alkyl aryl ethers Bromobenzenes Aryl bromides Enones Vinylogous halides Acryloyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retrochalcone - Cinnamylphenol - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Methoxyphenol - Anisole - Benzoyl - Phenoxy compound - 2-halophenol - 2-bromophenol - Phenol ether - Styrene - Methoxybenzene - Aryl ketone - Bromobenzene - Alkyl aryl ether - Phenol - Halobenzene - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Vinylogous halide - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organohalogen compound - Organobromide - 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