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Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(=C1)[C@H]1OC2=C(OC)C=C3C=CC(=O)OC3=C2O[C@@H]1COC(=O)\C=C\C1=CC=C(O)C=C1

InChIKey

InChIKey=NJRCZZBEKGHAHH-JMGYAOOXSA-N

Formula

C29H24O10

Mass

532.501

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Coumarinolignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarinolignans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Angular-fused coumarolignan skeleton - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - P-dioxolo[2,3-h]coumarin - Coumaric acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Coumarin - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - Methoxyphenol - 1-benzopyran - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Styrene - Phenol - Alkyl aryl ether - Fatty acid ester - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Para-dioxin - Pyran - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarinolignans. These are lignans with a structure characterized by the presence of a 1,4-dioxane bridge substituted by a phenyl group, and fused to a coumarin.

External Descriptors

Not available

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