Compound Identification
SMILES
O[C@H]1[C@@H](OC2=C(C=C(Br)C=C2)C1=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=OFXFLYMEGZWBEJ-CVEARBPZSA-N
Formula
C16H11BrO5
Mass
363.163
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavans
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Level 5
Flavanones
- Level 6 Flavanonols
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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
Flavanones
Direct Parent
Flavanonols
Alternative Parents
3-hydroxyflavonoids Chromones Benzodioxoles Aryl alkyl ketones Alkyl aryl ethers Benzenoids Aryl bromides Secondary alcohols Oxacyclic compounds Acetals Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-hydroxyflavonoid - Flavanonol - Hydroxyflavonoid - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzodioxole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Secondary alcohol - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Acetal - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aldehyde - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavanonols. 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 hydroxyl group and a ketone at the carbon C2 and C3, respectively.
External Descriptors
Not available