Structure Information
Structure

Compound Identification

SMILES

O[C@H]1C2=C(O[C@@H](C3=CC=CC=C3C(=O)OCC3=CC=CC=C3)[C@]1(Cl)[N+]([O-])=O)C(CC=C)=CC=C2

InChIKey

InChIKey=PGGLXPOCYDYECA-KYPHJKQUSA-N

Formula

C26H22ClNO6

Mass

479.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Not available

Direct Parent

Flavan-4-ols

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-hydroxyflavonoid - Flavan-4-ol - Hydroxyflavonoid - Benzoate ester - Chromane - Benzopyran - Benzyloxycarbonyl - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Carboxylic acid ester - Chlorohydrin - Halohydrin - C-nitro compound - Secondary alcohol - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organochloride - Organonitrogen compound - Organic salt - Organooxygen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organic zwitterion - Organic oxide - Alkyl chloride - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavan-4-ols. These are flavans that bear and hydroxyl group at position 4 (B ring), but not at the 3-position.

External Descriptors

Not available

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