Compound Identification
SMILES
COC1=CC=CC2=C1OC(N1CCOCC1)C(=C2)C1=CC=CC=C1
InChIKey
InChIKey=TUMSSAOWXMMHKT-UHFFFAOYSA-N
Formula
C20H21NO3
Mass
323.392
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
O-methylated isoflavonoids
- Level 5 8-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
8-O-methylated isoflavonoids
Alternative Parents
Isoflav-3-enes 1-benzopyrans Anisoles Alkyl aryl ethers Morpholines Benzene and substituted derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-methoxyisoflavonoid-skeleton - Isoflav-3-ene skeleton - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Azacycle - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 8-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C8 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available