Structure Information
Structure

Compound Identification

SMILES

[H+].[O-]S([O-])(=O)=O.CCC[N+]1=C2C3=CC4=C(OCO4)C=C3C=CC2=C2C=CC(OC)=C(O)C2=C1

InChIKey

InChIKey=PVTOGAWRKYBKCQ-UHFFFAOYSA-N

Formula

C22H21NO8S

Mass

459.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Benzophenanthridine alkaloids

Subclass

N-demethylbenzophenanthridine alkaloids

Intermediate Tree Nodes

Not available

Direct Parent

N-demethylbenzophenanthridine alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-demethylbenzophenanthridine alkaloid skeleton - Benzoquinoline - Phenanthridine - Isoquinoline - Naphthalene - Quinoline - Benzodioxole - Anisole - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Pyridine - Pyridinium - Organic sulfate salt - Benzenoid - Heteroaromatic compound - Organic sulfuric acid or derivatives - Organoheterocyclic compound - Ether - Acetal - Azacycle - Oxacycle - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-demethylbenzophenanthridine alkaloids. These are alkaloids containing a N-demethylbenzophenanthridine skeleton, which consists of a benzene ring fused to one benzene moiety of the tricyclic phenanthiridine system. These compounds do not carry a methyl group at the N-atom of the phenanthridine moiety, in contrast to other benzophenanthridine alkaloids.

External Descriptors

Not available

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