Compound Identification
SMILES
COC1=CC2=C(C(O)=C1CC=C(C)C)C(=O)C(=CO2)C1=CC=C(OS(O)(=O)=O)C=C1O
InChIKey
InChIKey=TWHGFBOMKBSNCZ-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 Hydroxyisoflavonoids Isoflavones Chromones Phenylsulfates Anisoles Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Sulfuric acid monoesters Heteroaromatic compounds Vinylogous acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-prenylated isoflavanone - 7-o-methylisoflavone - Hydroxyisoflavonoid - Isoflavone - Chromone - Phenylsulfate - Arylsulfate - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Pyran - Sulfuric acid monoester - Sulfate-ester - Organic sulfuric acid or derivatives - Vinylogous acid - Heteroaromatic compound - Organoheterocyclic compound - Ether - Oxacycle - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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