Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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