Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C[C@@H]2COC[C@H]2CC2=CC3=C(OCO3)C=C2)=CC(OC)=C1OC

InChIKey

InChIKey=VJMJISPSGHVBBU-IAGOWNOFSA-N

Formula

C22H26O6

Mass

386.444

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Furanoid lignans

Subclass

Tetrahydrofuran lignans

Intermediate Tree Nodes

Not available

Direct Parent

9,9'-epoxylignans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

9,9p-epoxylignan - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tetrahydrofuran - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Acetal - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 9,9'-epoxylignans. These are lignans with a structure based on the 9,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries two benzyl groups at the 3- and 4-positions. Additionally they are oxygenated at the 2-position to form dibenzylbutyrolactones (oxo group) or a dibenzylbutyrolactols (hydroxyl group).

External Descriptors

CHEBI:3222 : benzodioxoles - methoxybenzene - cyclic acetal - lignan
KEGG (C10547) : Lignans

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