Compound Identification
SMILES
COC1=C(C=C([C@@H]2COC3=C(C=CC(O)=C3)C2=O)C(O)=C1O)C(C)(C)C=C
InChIKey
InChIKey=KNQQUXVBDOWOCQ-AWEZNQCLSA-N
Formula
C21H22O6
Mass
370.401
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
Hydroxyisoflavonoids Isoflavanols Isoflavanones Chromones Methoxyphenols Phenylpropanes Methoxybenzenes Phenoxy compounds Catechols Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3'-hydroxy,4'-methoxyisoflavonoid - Hydroxyisoflavonoid - Isoflavanol - Isoflavanone - Isoflavan - Chromone - Methoxyphenol - Chromane - Benzopyran - 1-benzopyran - Phenylpropane - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Catechol - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - 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