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Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)[C@H]1OC2=C(OC)C=C3C=CC(=O)OC3=C2O[C@@H]1COC(=O)C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=WQIZCXIRVAHPRD-ZJSXRUAMSA-N

Formula

C28H24O12

Mass

552.488

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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 - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Coumarin - Methoxyphenol - Benzo-1,4-dioxane - Benzodioxane - 1-benzopyran - Benzoate ester - Dimethoxybenzene - M-dimethoxybenzene - Benzopyran - Benzoic acid or derivatives - Phenol ether - Catechol - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Pyran - Benzenoid - Monocyclic benzene moiety - Para-dioxin - Heteroaromatic compound - Carboxylic acid ester - Lactone - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - 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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