Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=C2C=CC(OC(=O)CCC(=O)N(CCO)CCO)=C3)=C1

InChIKey

InChIKey=CWYAUOIPNIGUCX-QFIPXVFZSA-N

Formula

C28H36N2O9

Mass

544.601

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Allocolchicine alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Allocolchicine alkaloids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Allocolchicine alkaloid skeleton - Phenol ester - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Benzenoid - N-acyl-amine - Acetamide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as allocolchicine alkaloids. These are alkaloids with a structure based on the tricyclic allocolchicine skeleton, which consists of a dibenzocycloheptane where the cycloheptane moiety carries the N-acetamide group.

External Descriptors

Not available

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