Compound Identification
SMILES
COC1=CC(OC)=C(C(CO)=C1)C1=CC2=C(O[C@@H]1C1=CC(OC)=C(OC)C=C1)C=C(CO)C=C2OC
InChIKey
InChIKey=JBJKVMWDNUMNRH-MUUNZHRXSA-N
Formula
C28H30O8
Mass
494.54
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 5-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
5-O-methylated isoflavonoids
Alternative Parents
2'-O-methylated isoflavonoids 3'-O-methylated flavonoids 4'-O-methylated flavonoids 4'-O-methylated isoflavonoids 5-O-methylated flavonoids Isoflav-3-enes Flav-3-enes Stilbenes Dimethoxybenzenes 1-benzopyrans Benzyl alcohols Anisoles Phenoxy compounds Alkyl aryl ethers Oxacyclic compounds Aromatic alcohols Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2p-methoxyisoflavonoid-skeleton - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 4p-methoxyisoflavonoid - 5-methoxyflavonoid-skeleton - 5-methoxyisoflavonoid-skeleton - Flav-3-ene - Isoflav-3-ene skeleton - Stilbene - M-dimethoxybenzene - O-dimethoxybenzene - Dimethoxybenzene - Benzopyran - 1-benzopyran - Phenoxy compound - Methoxybenzene - Anisole - Benzyl alcohol - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Oxacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Alcohol - Aromatic alcohol - Organooxygen compound - Organic oxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 5-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C5 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available