Structure Information
Structure

Compound Identification

SMILES

[Na].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12.CCC(CC)CC(=O)C1=C(O)C2=CC(OC)=C(OC)C(OC)=C2C(C2=CC(OC)=C(OC)C=C2)=C1C(=O)OC

InChIKey

InChIKey=PNLHSHYDAQVNNG-CUSNUXNHSA-N

Formula

C53H72NaO16

Mass

988.133

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Arylnaphthalene lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Arylnaphthalene lignans

Alternative Parents

Molecular Framework

Not available

Substituents

Arylnaphthalene lignan skeleton - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Butyrophenone - 1-naphthol - O-dimethoxybenzene - Dimethoxybenzene - Naphthalene - Fatty alcohol - Medium-chain hydroxy acid - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Medium-chain fatty acid - Aryl ketone - Aryl alkyl ketone - Beta-hydroxy acid - Alkyl aryl ether - Phenol - Branched fatty acid - Fatty acid ester - Hydroxy fatty acid - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Dicarboxylic acid or derivatives - Hydroxy acid - Methyl ester - Vinylogous acid - Carboxylic acid ester - Secondary alcohol - Ketone - Organic alkali metal salt - Ether - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Alcohol - Hydrocarbon derivative - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.

External Descriptors

Not available

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