Compound Identification
SMILES
COC1=CC=C(C=C1)C1=COC2=C(C=CC(OCC(O)=O)=C2)C1=O
InChIKey
InChIKey=GMKYBSAERKAXQY-UHFFFAOYSA-N
Formula
C18H14O6
Mass
326.304
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 Phenoxyacetic acid derivatives Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-o-methylisoflavone - Isoflavone - Chromone - Phenoxyacetate - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Pyranone - Alkyl aryl ether - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - 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