Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1OC)C1C(C2C(ON=C2Br)C2=CC3=C(OCO3)C=C12)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=ZCIASRNGGXBTKE-UHFFFAOYSA-N

Formula

C35H30BrNO8

Mass

672.528

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Aryltetralin lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Aryltetralin lignans

Alternative Parents

Diphenylmethanes Naphthalenecarboxylic acids Tetralins Benzyloxycarbonyls Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Isoxazolines Carboxylic acid esters Acetals Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Organonitrogen compounds Organopnictogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-aryltetralin lignan - Diphenylmethane - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Benzyloxycarbonyl - Tetralin - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Isoxazoline - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton.

External Descriptors

Not available

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