Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=CC=C(NC(=O)C2=CC=CC(=C2)C2=CC3=CC=CC=C3OC2=O)C=C1

InChIKey

InChIKey=PTFXKFWSSWWMJR-UHFFFAOYSA-N

Formula

C26H23NO3

Mass

397.474

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-3-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflav-3-enones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflav-3-enone skeleton - Benzanilide - Aromatic anilide - Coumarin - 1-benzopyran - Benzopyran - Benzoic acid or derivatives - Phenylpropane - Benzamide - Benzoyl - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Carboxamide group - Lactone - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.

External Descriptors

Not available

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