Compound Identification
SMILES
COC1=C(O)C=CC([C@H]2CC3=C(O)C=C(C=C3OC2=O)C2=CC3=C(C=CCO3)C(OO)=C2)=C1OC
InChIKey
InChIKey=ACDZLPLSSTVFHF-QGZVFWFLSA-N
Formula
C26H22O9
Mass
478.453
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 3'-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
Not available
Direct Parent
3'-O-methylated isoflavonoids
Alternative Parents
2'-O-methylated isoflavonoids Hydroxyisoflavonoids 3-arylcoumarin flavonoids Isoflavans 3,4-dihydrocoumarins 1-benzopyrans Methoxyphenols Dimethoxybenzenes Phenoxy compounds Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Organic hydroperoxides Lactones Carboxylic acid esters Peroxols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2p-methoxyisoflavonoid-skeleton - 3p-methoxyisoflavonoid-skeleton - Hydroxyisoflavonoid - 3-arylcoumarin flavonoid - Isoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - Methoxyphenol - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Hydroperoxide - Lactone - Carboxylic acid ester - Peroxol - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C3' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available