Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(C=C1)C(C[N+]([O-])=O)C1COC2=CC3=C(C=C2C1=O)C(C)(C)CCC3(C)C

InChIKey

InChIKey=UULXGYPXEGCMRX-UHFFFAOYSA-N

Formula

C27H31NO6

Mass

465.546

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Homoisoflavonoids

Subclass

Homoisoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Homoisoflavanones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Homoisoflavanone - Naphthopyran - Chromone - 1-benzopyran - P-cymene - Aromatic monoterpenoid - Naphthalene - Tetralin - Benzoate ester - Chromane - Benzopyran - Monoterpenoid - Benzoic acid or derivatives - Aryl ketone - Aryl alkyl ketone - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Methyl ester - Ketone - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as homoisoflavanones. These are homoisoflavonoids with a structure based on the chromanone system. Chromanone is a bicyclic compound consisting of a 3,4-dihydro-1-benzopyran, which bears a ketone group at the 4-position.

External Descriptors

Not available

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