Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=VEHQEDJLVUARIC-DOHLAZSCSA-N

Formula

C23H19N3O6

Mass

433.42

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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 - Cinnamic acid - Cinnamic acid or derivatives - Aminoquinoline - Pyranopyridine - Quinoline - Styrene - Pyridinone - Pyridine - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Amino acid - Lactone - Lactam - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen 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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