Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C[C@@H](CO)[C@H](CO)CC2=CC3=C(OCO3)C=C2)=CC(OC)=C1OC

InChIKey

InChIKey=FDHFWHRGVDRJIK-IRXDYDNUSA-N

Formula

C22H28O7

Mass

404.459

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Dibenzylbutane lignans

Subclass

Dibenzylbutanediol lignans

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzylbutanediol lignans

Alternative Parents

Benzodioxoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzylbutanediol - Benzodioxole - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzylbutanediol lignans. These are lignan compounds containing a 2,3-dibenzylbutane-1,4-diol moiety.

External Descriptors

Not available

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