Compound Identification
SMILES
CO[C@@H]1[C@H](C(=O)OC2=C(CC#N)C=CC=C12)C1=CC=CC=C1
InChIKey
InChIKey=CIKFHEOHDMQWJY-WBVHZDCISA-N
Formula
C18H15NO3
Mass
293.322
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
3-arylcoumarin flavonoids Isoflavans 3,4-dihydrocoumarins 1-benzopyrans Benzene and substituted derivatives Lactones Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-methoxyisoflavonoid-skeleton - 3-arylcoumarin flavonoid - Isoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Cyanide - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen 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