Compound Identification
SMILES
BrC1=CC2=C(O[C@H]([C@H](OC(=O)NC3CCCC3)C2=O)C2=CC3=C(OCO3)C=C2)C=C1
InChIKey
InChIKey=CJRLDGWINAOOLW-LEWJYISDSA-N
Formula
C22H20BrNO6
Mass
474.307
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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 Benzodioxoles Aryl alkyl ketones Alkyl aryl ethers Benzenoids Aryl bromides Carbamate esters Oxacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavanonol - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzodioxole - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Aryl bromide - Aryl halide - Carbamic acid ester - Ketone - Organoheterocyclic compound - Acetal - Oxacycle - Ether - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organonitrogen compound - 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