Compound Identification
SMILES
CO[C@@H]1OC2=C(C=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C2)[C@@H](OC)[C@H]1C1=CC=CC=C1
InChIKey
InChIKey=PLAQZQGKGPFNIH-WXFUMESZSA-N
Formula
C24H24O6S
Mass
440.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
O-methylated isoflavonoids
- Level 5 4-O-methylated isoflavonoids
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Subclass
O-methylated isoflavonoids
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
O-methylated isoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
4-O-methylated isoflavonoids
Alternative Parents
2-O-methylated isoflavonoids Isoflavans p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds 1-benzopyrans Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Oxacyclic compounds Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-methoxyisoflavonoid-skeleton - 4-methoxyisoflavonoid-skeleton - Isoflavan - Benzenesulfonate ester - P-methylbenzenesulfonate - Chromane - Benzopyran - 1-benzopyran - Tosyl compound - Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Toluene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Acetal - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C4 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available