Compound Identification
SMILES
CC[C@H](C)[C@@H](NC(=O)O[C@H]1[C@@H](OC2=C(C=C(Br)C=C2)C1=O)C1=CC2=C(OCO2)C=C1)C(=O)OC
InChIKey
InChIKey=WMDHVFAJVWPXIE-HNXPILFWSA-N
Formula
C24H24BrNO8
Mass
534.359
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
Isoleucine and derivatives Alpha amino acid esters Chromones Benzodioxoles Aryl alkyl ketones Alkyl aryl ethers Fatty acid esters Aryl bromides Benzenoids Carbamate esters Methyl esters Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Organic oxides Organobromides Aldehydes Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavanonol - Isoleucine or derivatives - Alpha-amino acid ester - Chromone - Alpha-amino acid or derivatives - Chromane - Benzopyran - 1-benzopyran - Benzodioxole - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Fatty acid ester - Benzenoid - Aryl bromide - Aryl halide - Fatty acyl - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Ketone - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aldehyde - Organobromide - Organic nitrogen compound - Organic oxygen compound - Organohalogen 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