Structure Information
Structure

Compound Identification

SMILES

[Fe++].[CH]1[CH][CH][CH][CH]1.O=C([C@@H]1[C@@H]([C]2[CH][CH][CH][CH]2)[C@@]2(O[C@]1(C1=CC=CC=C21)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=SRIWBYMJNOJZOO-GWGYQOQZSA-N

Formula

C39H30FeO2

Mass

586.511

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Not available

Substituents

Linear 1,7-diphenylheptane skeleton - 1-aryltetralin lignan - Dibenzylbutane lignan skeleton - 2-naphthalenecarboxylic acid or derivatives - Alkyl-phenylketone - Tetralin - Phenylketone - Isocoumaran - Benzoyl - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Oxolane - Ketone - Cyclic olefin - Organic transition metal salt - Oxacycle - Cycloalkene - Ether - Dialkyl ether - Organoheterocyclic compound - Organic oxygen compound - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Hydrocarbon - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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