Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C(F)(F)F.CC1=C(C(=O)C2=C(O1)C=C(OC(=O)C1CCC[NH2+]1)C=C2)C1=CC2=C(OCCCO2)C=C1

InChIKey

InChIKey=XNAPIDDUDVNTMU-UHFFFAOYSA-N

Formula

C26H24F3NO8

Mass

535.472

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-2-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavones

Alternative Parents

Molecular Framework

Not available

Substituents

Isoflavone - Alpha-amino acid ester - Proline or derivatives - Chromone - Alpha-amino acid or derivatives - Phenol ester - Benzopyran - 1-benzopyran - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Alpha-halocarboxylic acid - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid ester - Oxacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

External Descriptors

Not available

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