Structure Information
Structure

Compound Identification

SMILES

CCN(CC1=CC=CC=C1)CC1=CC=C(C=C1)C1=CC2=CC(OC)=C(OC)C=C2OC1=O

InChIKey

InChIKey=PNZIOQNBQOTGPK-UHFFFAOYSA-N

Formula

C27H27NO4

Mass

429.516

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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 - Coumarin - Benzopyran - 1-benzopyran - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Aralkylamine - Pyranone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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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