Structure Information
Structure

Compound Identification

SMILES

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)C3C4(CCN5CC=C[C@](CC)(C45)[C@@H](OC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]4CC(O)CN4C(C)=O)C4CCCCC4)[C@]3(O)C(=O)OC)C2=C1

InChIKey

InChIKey=KIOHDPOOLIEIJW-WMCNQAAASA-N

Formula

C75H104N12O21

Mass

1509.72

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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 - Alpha-oligopeptide - Alpha peptide - Glutamine or derivatives - Alpha-amino acid ester - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Carbazole - Alpha-amino acid amide - Serine or derivatives - N-substituted-alpha-amino acid - 3-alkylindole - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Indole or derivatives - Indole - Dialkylarylamine - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - Tertiary aliphatic/aromatic amine - Pyrrolidine carboxylic acid or derivatives - Anisole - Aralkylamine - Alkyl aryl ether - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - N-alkylpyrrolidine - Piperidine - Tertiary carboxylic acid amide - Methyl ester - Pyrrole - Tertiary alcohol - Pyrrolidine - Heteroaromatic compound - Cyclic alcohol - Acetamide - Tertiary amine - Tertiary aliphatic amine - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - 1,2-aminoalcohol - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Primary alcohol - Organooxygen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - 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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