Structure Information
Structure

Compound Identification

SMILES

CC[C@@]1(OC(=O)[C@H](CC(C)C)NC(=O)C2=CC(C)(C)N([O])C2(C)C)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O

InChIKey

InChIKey=KKBQJFDXTXJSIZ-CYFIQEHSSA-N

Formula

C35H39N4O7

Mass

627.718

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Camptothecins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Camptothecins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Camptothecin - Leucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Pyrroline carboxylic acid or derivatives - Fatty acid ester - Pyridinone - Dicarboxylic acid or derivatives - Pyridine - Fatty acyl - Benzenoid - Pyrroline - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Lactam - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).

External Descriptors

Not available

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