Compound Identification
SMILES
COC1=CC2=C(C(=O)C(=CO2)C2=CC=C(O)C=C2O)C(OS(O)(=O)=O)=C1CC=C(C)C
InChIKey
InChIKey=WXBNPBUKHAELSA-UHFFFAOYSA-N
Formula
C21H20O9S
Mass
448.44
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
Isoflavans
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Level 5
Isoflavanones
- Level 6 6-prenylated isoflavanones
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Level 5
Isoflavanones
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Subclass
Isoflavans
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Class
Isoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavans
Intermediate Tree Nodes
Isoflavanones
Direct Parent
6-prenylated isoflavanones
Alternative Parents
7-O-methylisoflavones Isoflavones Hydroxyisoflavonoids Chromones Arylsulfates Resorcinols Anisoles Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Sulfuric acid monoesters Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-prenylated isoflavanone - 7-o-methylisoflavone - Isoflavone - Hydroxyisoflavonoid - Chromone - 1-benzopyran - Arylsulfate - Benzopyran - Resorcinol - Anisole - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Pyran - Monocyclic benzene moiety - Organic sulfuric acid or derivatives - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 6-position.
External Descriptors
Not available