Compound Identification
SMILES
CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(OCC1=C(F)C(F)=C(F)C(F)=C1F)C=C2)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=HWWTXXJYJCTWEN-UHFFFAOYSA-N
Formula
C27H19F5O7
Mass
550.434
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
3'-O-methylisoflavones Isoflavones Chromones Dimethoxybenzenes Phenoxy compounds Anisoles Pyranones and derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyisoflavone - 4p-o-methylisoflavone - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Halobenzene - Fluorobenzene - Pyranone - Alkyl aryl ether - Aryl fluoride - Benzenoid - Pyran - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Organic oxide - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen 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