Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)N1CCN(CC1)C(=O)C1=CC=C(C=C1)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=SMARDOWZNGMPTF-UHFFFAOYSA-N

Formula

C26H21N3O5

Mass

455.47

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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 - Phenylpiperazine - N-arylpiperazine - Coumarin - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyranone - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyran - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Tertiary amine - Amino acid or derivatives - Lactone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Organic salt - Organic nitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic cation - 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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