Compound Identification
SMILES
COC1=CC2=C(C=C1)[C@@H]([C@H](C1=CC=CC=C1)C(C)(C)O2)C1=CC=C(OCC2CO2)C=C1
InChIKey
InChIKey=IISXXZMZLSKUTJ-DDZRMCBLSA-N
Formula
C27H28O4
Mass
416.517
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
Neoflavans Isoflavans Stilbenes 2,2-dimethyl-1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-methoxyisoflavonoid-skeleton - Isoflavan - Neoflavan - Neoflavonoid skeleton - Stilbene - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Oxacycle - Ether - Oxirane - Dialkyl ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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