Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC2=CC=CC=C2)C=CC(=C1)[C@@H]1[C@@H](CO)[C@](O)(CO)CC2=CC(OC)=C(OCC3=CC=CC=C3)C=C12

InChIKey

InChIKey=NCBQKXYLGGCMGM-WEQWWUEYSA-N

Formula

C34H36O7

Mass

556.655

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Aryltetralin lignans

Subclass

9,9p-dihydroxyaryltetralin lignans

Intermediate Tree Nodes

Not available

Direct Parent

9,9p-dihydroxyaryltetralin lignans

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

9,9p-dihydroxyaryltetralin lignan - Tetralin - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Ether - Organic oxygen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 9,9p-dihydroxyaryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton carrying a hydroxyl group at the 9- and the 9'- position.

External Descriptors

Not available

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