Structure Information
Structure

Compound Identification

SMILES

COC1=CC(CC(CO)C(CO)CC2=CC(OC)=C(O)C=C2)=CC(OC)=C1O

InChIKey

InChIKey=AMVHSCBIZLVSPF-UHFFFAOYSA-N

Formula

C21H28O7

Mass

392.448

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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

Methoxyphenols Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Primary alcohols Hydrocarbon derivatives

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dibenzylbutanediol - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ether - Primary alcohol - Alcohol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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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