Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCC(OC1=CC=C(C=C1)C1C(COC2=C1C=CC(OCC1=CC=CC=C1)=C2)C1=CC=CC=C1)N1CCOCC1

InChIKey

InChIKey=FRNDGRXRABYDFO-UHFFFAOYSA-N

Formula

C42H51NO4

Mass

633.873

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavan - Neoflavan - Neoflavonoid skeleton - Stilbene - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - Benzenoid - Oxazinane - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavans. These are polycyclic compounds with a structure based on the 3-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.

External Descriptors

Not available

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