Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@H](OC2=CC=CC=C2C1=O)C1=CC=C(C=C1)C#N

InChIKey

InChIKey=OYHOHSXKPXJUJR-JKSUJKDBSA-N

Formula

C16H11NO3

Mass

265.268

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Flavanones

Direct Parent

Flavanonols

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-hydroxyflavonoid - Flavanonol - Hydroxyflavonoid - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzonitrile - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Ketone - Organoheterocyclic compound - Ether - Oxacycle - Nitrile - Carbonitrile - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavanonols. These are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively.

External Descriptors

Not available

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