Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=FXIZAIMBSWTUKR-QTZUSBOUSA-N

Formula

C29H30N4O8

Mass

562.579

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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 - Alpha-dipeptide - Alpha peptide - Aspartic acid or derivatives - Valine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Tricarboxylic acid or derivatives - Fatty acid ester - Pyridinone - Fatty amide - N-acyl-amine - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactone - Lactam - Amino acid - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organonitrogen compound - Organooxygen 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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