Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(OC2=C(C=CC(O)=C2)C1=O)SCC1=CC=NC=C1
InChIKey
InChIKey=GMFZBGAQKAVZSP-UHFFFAOYSA-N
Formula
C22H17NO4S
Mass
391.44
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
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 Hydroxyisoflavonoids Chromones Phenoxy compounds Anisoles Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Alkylarylthioethers Vinylogous thioesters Pyridines and derivatives Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-o-methylisoflavone - Isoflavone - Hydroxyisoflavonoid - Chromone - 1-benzopyran - Benzopyran - Aryl thioether - Methoxybenzene - Phenoxy compound - Phenol ether - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Pyranone - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Pyran - Vinylogous thioester - Benzenoid - Pyridine - Heteroaromatic compound - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - 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