Compound Identification
SMILES
COC1=CC(OC)=C2C=C(COC2=C1)C1=CC=CC=C1CC#N
InChIKey
InChIKey=CSEXTGTWKGQJMP-UHFFFAOYSA-N
Formula
C19H17NO3
Mass
307.349
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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 Benzyl cyanides Anisoles Alkyl aryl ethers Oxacyclic compounds Nitriles Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxyisoflavonoid-skeleton - 7-methoxyisoflavonoid-skeleton - Isoflav-3-ene skeleton - Benzopyran - 1-benzopyran - Benzyl-cyanide - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Nitrile - Carbonitrile - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organonitrogen 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