Structure Information
Structure

Compound Identification

SMILES

OS(O)(=O)=O.CC[C@@]1(O)C[C@H]2CN(C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=C(OC)C=C2N(C)[C@@H]3[C@]4(CCN5CC=C[C@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C2=C1

InChIKey

InChIKey=KDQAABAKXDWYSZ-CJWHBHTLSA-N

Formula

C46H60N4O13S

Mass

909.06

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Vinca alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Vinca alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Vinca alkaloid skeleton - Carbazole - 3-alkylindole - Tricarboxylic acid or derivatives - Indole or derivatives - Indole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Anisole - Aralkylamine - Sulfuric acid - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Piperidine - Heteroaromatic compound - Methyl ester - Tertiary alcohol - Pyrrolidine - Pyrrole - Organic sulfuric acid or derivatives - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as vinca alkaloids. These are alkaloids with a dimeric chemical structure composed of an indole nucleus (catharanthine), and a dihydroindole nucleus (vindoline), joined together.

External Descriptors

Not available

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