Compound Identification
SMILES
COC1=CC2=C(C=C1)[C@@H](O)C(=CO2)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=WCBLYLSEIFDBFU-GOSISDBHSA-N
Formula
C18H18O5
Mass
314.337
Taxonomic Classification
Taxonomy Tree
-
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 7-O-methylated isoflavonoids
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Subclass
O-methylated isoflavonoids
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
O-methylated isoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
7-O-methylated isoflavonoids
Alternative Parents
4'-O-methylated isoflavonoids 3'-O-methylated isoflavonoids Hydroxyisoflavonoids Isoflav-2-enes Dimethoxybenzenes 1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyisoflavonoid-skeleton - 4p-methoxyisoflavonoid - 7-methoxyisoflavonoid-skeleton - Hydroxyisoflavonoid - Isoflav-2-ene skeleton - Benzopyran - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C7 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available