Structure Information
Structure

Compound Identification

SMILES

[Br-].COC1=C(OCCCOC2=CC=C(C=C2)C2=NC3=CC=CC=C3S2)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3

InChIKey

InChIKey=VZHBXAGJFBJPAA-UHFFFAOYSA-M

Formula

C35H29BrN2O5S

Mass

669.59

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Protoberberine alkaloids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Protoberberine alkaloids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Protoberberine skeleton - Isoquinoline - Benzodioxole - 1,3-benzothiazole - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Azacycle - Oxacycle - Organoheterocyclic compound - Ether - Acetal - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic bromide salt - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton.

External Descriptors

Not available

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