Compound Identification
SMILES
COc1ccc2C(CC(Oc2c1)c1ccc(cc1)C#N)n1ccnc1
InChIKey
InChIKey=KUJNSKVJMZIYFO-UHFFFAOYSA-N
Formula
C20H17N3O2
Mass
331.375
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
O-methylated flavonoids
- Level 5 7-O-methylated flavonoids
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Subclass
O-methylated flavonoids
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
O-methylated flavonoids
Intermediate Tree Nodes
Not available
Direct Parent
7-O-methylated flavonoids
Alternative Parents
Flavans 1-benzopyrans Benzonitriles Anisoles Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-methoxyflavonoid-skeleton - Flavan - Chromane - 1-benzopyran - Benzopyran - Anisole - Benzonitrile - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Nitrile - Carbonitrile - Organic oxygen compound - Cyanide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
External Descriptors
Not available