Compound Identification
SMILES
COC1=CC(OC)=C2C=C(COC2=C1)C1=CC=C(C=C1)C1=CC2=C(OC)C=C(OC)C=C2OC1
InChIKey
InChIKey=PNTHEQDRWSPECD-UHFFFAOYSA-N
Formula
C28H26O6
Mass
458.51
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
5-O-methylated isoflavonoids Isoflav-3-enes 1-benzopyrans Anisoles Alkyl aryl ethers Benzene and substituted derivatives Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxyisoflavonoid-skeleton - 7-methoxyisoflavonoid-skeleton - Isoflav-3-ene skeleton - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organoheterocyclic compound - Oxacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - 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