Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)O[C@H]1[C@@H](OC2=C(C=C(Br)C=C2)C1=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=IWBDEZDTZABXOQ-XZOQPEGZSA-N
Formula
C24H18BrNO8S
Mass
560.37
Taxonomic Classification
Taxonomy Tree
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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
Chromones Tosyl compounds Benzenesulfonamides Benzenesulfonyl compounds Benzodioxoles Aryl alkyl ketones Alkyl aryl ethers Aryl bromides Organosulfonic acids and derivatives Aminosulfonyl compounds Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aldehydes Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavanonol - Chromone - Benzenesulfonamide - Chromane - Benzopyran - 1-benzopyran - Tosyl compound - Benzodioxole - Benzenesulfonyl group - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Ketone - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Organosulfur compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Organobromide - Organonitrogen compound - Organooxygen compound - 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