Compound Identification
SMILES
CC1=CC=C(C=C1)C1(COC2=CC=CC=C2C1=O)S(=O)(=O)C1=CC=CC=C1
InChIKey
InChIKey=FUEHJQVJGVTUOW-UHFFFAOYSA-N
Formula
C22H18O4S
Mass
378.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflavans
- Level 5 Isoflavanones
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Subclass
Isoflavans
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavanones
Alternative Parents
Chromones Benzenesulfonyl compounds Aryl alkyl ketones Toluenes Alkyl aryl ethers Sulfones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanone - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzenesulfonyl group - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfone - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavanones. These are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4.
External Descriptors
Not available