Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(OC2=C(C=CC(OC3=CC=CC=C3)=C2)C1=O)SC1=CC=C(O)C=C1
InChIKey
InChIKey=ULQLXVXJVOHDIU-UHFFFAOYSA-N
Formula
C28H20O5S
Mass
468.52
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 Chromones Diarylethers Diarylthioethers Phenoxy compounds Methoxybenzenes Anisoles Thiophenol ethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Vinylogous thioesters Heteroaromatic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-o-methylisoflavone - Isoflavone - Diaryl ether - Chromone - Diarylthioether - 1-benzopyran - Benzopyran - Methoxybenzene - Phenol ether - Phenoxy compound - Aryl thioether - Thiophenol ether - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organooxygen 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