Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)[C@@H]1OC2=C(C=C(Cl)C=C2)C(=O)[C@H]1[Tl]
InChIKey
InChIKey=MWQASGJCFSGGLI-XFULWGLBSA-N
Formula
C15H9ClNO4Tl
Mass
507.07
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
- Level 5 Flavanones
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Subclass
Flavans
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Class
Flavonoids
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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 Nitrobenzenes Aryl alkyl ketones Nitroaromatic compounds Alkyl aryl ethers Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organothalium compounds Aldehydes Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavanone - Chromone - 1-benzopyran - Chromane - Benzopyran - Nitrobenzene - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Ketone - Oxacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organothalium compound - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic post-transition metal moeity - Organochloride - Organometallic compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - 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