Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.ClC1=CC=C(C=C1)[C@@H]1OC2=CC=CC=C2C(=O)[C@H]1[Tl]
InChIKey
InChIKey=RMIXVHNRZCUMTL-HKPSJHCMSA-N
Formula
C29H26ClO8S2Tl
Mass
806.47
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
- 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 Aryl alkyl ketones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Oxacyclic compounds Organic oxides Organochlorides Organothalium compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Flavanone - Chromone - P-methylbenzenesulfonate - Benzopyran - Benzenesulfonate - Chromane - 1-benzopyran - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aryl alkyl ketone - Aryl ketone - Halobenzene - Alkyl aryl ether - Chlorobenzene - Toluene - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Organohalogen compound - Organosulfur compound - Organic oxide - Organothalium compound - Organic oxygen compound - Hydrocarbon derivative - Organic post-transition metal moeity - Organochloride - Organometallic compound - Organooxygen 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