Compound Identification
SMILES
COC1=CC(O)=C2C(=O)C(=COC2=C1)C1=CC(O)=C(OC)C=C1
InChIKey
InChIKey=RWRYIBYHFCNKHK-UHFFFAOYSA-N
Formula
C17H14O6
Mass
314.293
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
- Level 5 4'-O-methylated isoflavonoids
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Subclass
O-methylated isoflavonoids
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Class
Isoflavonoids
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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
3'-hydroxy,4'-methoxyisoflavonoids
Alternative Parents
4'-O-methylisoflavones 7-O-methylisoflavones Isoflavones Hydroxyisoflavonoids Chromones Methoxyphenols Phenoxy compounds Anisoles Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3'-hydroxy,4'-methoxyisoflavonoid - 7-o-methylisoflavone - 4p-o-methylisoflavone - Hydroxyisoflavonoid - Isoflavone - Chromone - Benzopyran - Methoxyphenol - 1-benzopyran - Phenol ether - Anisole - Methoxybenzene - Phenoxy compound - Pyranone - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Pyran - Vinylogous acid - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone.
External Descriptors
LIPIDMAPS (LMPK12050357) : Isoflavonoids