Structure Information
Structure

Compound Identification

SMILES

[Cl-].CCC1=C(O)C(C[NH+](C)C)=C2OC(C)=C(C(=O)C2=C1)C1=CC2=C(OCCO2)C=C1

InChIKey

InChIKey=PQUVQTUYYAASJY-UHFFFAOYSA-N

Formula

C23H26ClNO5

Mass

431.91

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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

Aromatic heteropolycyclic compounds

Substituents

Hydroxyisoflavonoid - Isoflavone - Chromone - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Aralkylamine - Phenol - Pyranone - Para-dioxin - Benzenoid - Pyran - Heteroaromatic compound - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Oxacycle - Ether - Organic zwitterion - Organic salt - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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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