Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC1=C(OCCN(CCSC2=NC3=CC=CC=C3N2)CC2=C(F)C=C(F)C=C2)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3

InChIKey

InChIKey=QEJUYRFNOSIOJN-UHFFFAOYSA-M

Formula

C37H33ClF2N4O4S

Mass

703.2

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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 - Benzimidazole - Benzodioxole - Anisole - Aryl thioether - Benzylamine - Phenylmethylamine - Halobenzene - Aralkylamine - Fluorobenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyridine - Pyridinium - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Ether - Organoheterocyclic compound - Acetal - Thioether - Sulfenyl compound - Azacycle - Hydrocarbon derivative - Organic chloride salt - Organic oxygen compound - Organohalogen compound - Amine - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen 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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