Compound Identification
SMILES
CC(O)=O.CC(O)=O.CC1=CC=C(C=C1)[C@@H]1OC2=C(C=C(Cl)C=C2)C(=O)[C@@H]1[Tl]
InChIKey
InChIKey=PRIFZJNTMGMUQI-UFRNLTNDSA-N
Formula
C20H20ClO6Tl
Mass
596.2
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
Chromones Aryl alkyl ketones Toluenes Alkyl aryl ethers Aryl chlorides Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organothalium compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Flavanone - Chromone - 1-benzopyran - Chromane - Benzopyran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organohalogen compound - Organic post-transition metal moeity - Organochloride - Carbonyl group - Organometallic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organothalium 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