Structure Information
Structure

Compound Identification

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(C=NNC(=O)C4CCCN4)C4=CC=CC=C4N=C13)C2=O

InChIKey

InChIKey=NTCVNDNONHRQGN-GHZUAHJPSA-N

Formula

C26H25N5O5

Mass

487.516

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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 - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Pyridinone - Pyridine - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Alcohol - 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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