Compound Identification
SMILES
COC1=C(O)C(O)=C(C=C1)[C@]1(O)COC2=C(C=CC(O)=C2)C1=O
InChIKey
InChIKey=JSCRWCUDZWUUSS-MRXNPFEDSA-N
Formula
C16H14O7
Mass
318.281
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
Isoflavanones Isoflavanols Hydroxyisoflavonoids Chromones Methoxyphenols Phenoxy compounds Methoxybenzenes Catechols Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Acyloins Tertiary alcohols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3'-hydroxy,4'-methoxyisoflavonoid - Hydroxyisoflavonoid - Isoflavanone - Isoflavanol - Isoflavan - Chromone - 1-benzopyran - Methoxyphenol - Benzopyran - Chromane - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Catechol - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Acyloin - Tertiary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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
Not available