Compound Identification
SMILES
[Na].[Na].[Na].[Na].[Na].[Na].[Na].COC1=CC=C(C=C1)C1=C(OC2=CC(OCC(=C)C[C@@H]3O[C@@H](C)[C@@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]3OS(O)(=O)=O)=CC(OCC(=C)C[C@@H]3O[C@@H](C)[C@@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]3OS(O)(=O)=O)=C2C1=O)C(O)=O
InChIKey
InChIKey=KLUMHUATLYYVCQ-YBEHXKNRSA-N
Formula
C37H44Na7O33S6
Mass
1370.01
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
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Level 5
4'-O-methylated isoflavonoids
- Level 6 4'-O-methylisoflavones
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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
4'-O-methylated isoflavonoids
Direct Parent
4'-O-methylisoflavones
Alternative Parents
Isoflavones Chromones Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyranones and derivatives Monosaccharides Alkyl sulfates Sulfuric acid monoesters Oxanes Heteroaromatic compounds Vinylogous esters Oxacyclic compounds Organic alkali metal salts Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-o-methylisoflavone - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Oxane - Pyran - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Vinylogous ester - Heteroaromatic compound - Oxacycle - Ether - Dialkyl ether - Organic alkali metal salt - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - 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-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone.
External Descriptors
Not available