Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=COC2=C(C=CC3=C2OCO3)C1=O
InChIKey
InChIKey=BURSEYYMJTXRQK-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
-
Subclass
O-methylated isoflavonoids
-
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 Benzodioxoles Phenoxy compounds Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyisoflavone - 4p-o-methylisoflavone - Isoflavone - Chromone - Benzopyran - 1-benzopyran - O-dimethoxybenzene - Dimethoxybenzene - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Pyranone - Alkyl aryl ether - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Acetal - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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
LIPIDMAPS (LMPK12050144) : Isoflavonoids