Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.[O-][N+](=O)C1=CC=C(C=C1)[C@@H]1OC2=CC=CC=C2C(=O)[C@H]1[Tl]
InChIKey
InChIKey=DRVUWPVXEFPEOR-HKPSJHCMSA-N
Formula
C29H26NO10S2Tl
Mass
817.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
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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
p-Methylbenzenesulfonates Chromones Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Nitrobenzenes Aryl alkyl ketones Nitroaromatic compounds Alkyl aryl ethers Sulfonyls Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organothalium compounds
Molecular Framework
Not available
Substituents
Flavanone - Chromone - P-methylbenzenesulfonate - Chromane - Benzopyran - Benzenesulfonate - Tosyl compound - 1-benzopyran - Arylsulfonic acid or derivatives - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Aryl ketone - Nitroaromatic compound - Aryl alkyl ketone - Toluene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organoheterocyclic compound - Organic zwitterion - Organic post-transition metal moeity - Organometallic compound - Organonitrogen compound - Organothalium compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - 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