Compound Identification
SMILES
CC1=C(O)C2=C(OC(CC2=O)C2=CC=CC=C2)C(Br)=C1O
InChIKey
InChIKey=IAHQMMHOYBOGIX-UHFFFAOYSA-N
Formula
C16H13BrO4
Mass
349.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavans
- Level 5 Flavanones
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Subclass
Flavans
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavanones
Alternative Parents
7-hydroxyflavonoids 5-hydroxyflavonoids Chromones P-bromophenols O-bromophenols Aryl alkyl ketones Alkyl aryl ethers Benzene and substituted derivatives Aryl bromides Vinylogous acids Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavanone - Hydroxyflavonoid - Chromone - Chromane - Benzopyran - 1-benzopyran - Aryl alkyl ketone - 2-bromophenol - 4-bromophenol - Aryl ketone - Alkyl aryl ether - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous acid - Ketone - Ether - Oxacycle - Organoheterocyclic compound - Organobromide - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavanones. These are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.
External Descriptors
Not available