Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CC2=C(OC1(C)C)C=CC(=C2)C#N
InChIKey
InChIKey=XGOOBRQZQXWJNW-UHFFFAOYSA-N
Formula
C19H17NO2
Mass
291.35
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 4'-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
4'-O-methylated isoflavonoids
Alternative Parents
Isoflav-3-enes 2,2-dimethyl-1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Oxacyclic compounds Nitriles Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyisoflavonoid - Isoflav-3-ene skeleton - 2,2-dimethyl-1-benzopyran - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Oxacycle - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4'-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C4' atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available